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顶级期刊论文 年份:全部 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 2004

总数:743篇(JCR分区依据中国科学院2014年学科大类标准

2017年:0篇

    2016年:142篇

    1. Article: Pt3Co Octapods as Superior Catalysts of CO2 Hydrogenation
      Khan, Munir Ullah and Wang, Liangbing and Liu, Zhao and Gao, Zehua and Wang, Shenpeng and Li, Hongliang and Zhang, Wenbo and Wang, Menglin and Wang, Zhengfei and Ma, Chao and others
      Angewandte Chemie, 2016, 0, Wiley Online Library
      分区:1
    2. Article: The Nanoparticle Size Effect in Graphene Cutting: A “Pac-Man” Mechanism
      Qiu, Zongyang and Song, Li and Zhao, Jin and Li, Zhenyu and Yang, Jinlong
      Angewandte Chemie, 2016, 0
      http://onlinelibrary.wiley.com/doi/10.1002/ange.201602541/full
      分区:1
    3. Article: The Origin of Improved Electrical Double-Layer Capacitance by Inclusion of Topological Defects and Dopants in Graphene for Supercapacitors
      Chen, Jiafeng and Han, Yulei and Kong, Xianghua and Deng, Xinzhou and Park, Hyo Ju and Guo, Yali and Jin, Song and Qi, Zhikai and Lee, Zonghoon and Qiao, Zhenhua and others
      Angewandte Chemie International Edition, 2016, 55, 13822--13827, 44
      http://onlinelibrary.wiley.com/doi/10.1002/anie.201605926/full
      分区:1
    4. Article: Ultrathin Co3O4 Layers Realizing Optimized CO2 Electroreduction to Formate
      Gao, Shan and Jiao, Xingchen and Sun, Zhongti and Zhang, Wenhua and Sun, Yongfu and Wang, Chengming and Hu, Qitao and Zu, Xiaolong and Yang, Fan and Yang, Shuyang and others
      Angewandte Chemie International Edition, 2016, 55, 698--702, 2
      http://onlinelibrary.wiley.com/doi/10.1002/anie.201509800/full
      分区:1
    5. Article: Solar flux density calculation for a heliostat with an elliptical Gaussian distribution source
      Huang, Weidong and Sun, Lulening
      Applied Energy, 2016, 182, 434--441, 0
      http://www.sciencedirect.com/science/article/pii/S0306261916311692
      分区:1
    6. Article: Distinct molecule adsorption behaviors on warped nanographene C 80 H 30: A theoretical study
      Dai, Yafei and Li, Zhenyu and Yang, Jinlong
      Carbon, 2016, 100, 428--434, 0
      http://www.sciencedirect.com/science/article/pii/S0008622316300392
      分区:1
    7. Article: Interfacial strengthening and self-healing effect in graphene-copper nanolayered composites under shear deformation
      Liu, XiaoYi and Wang, FengChao and Wang, WenQiang and Wu, HengAn
      Carbon, 2016, 107, 680--688, 0
      http://www.sciencedirect.com/science/article/pii/S0008622316305309
      分区:1
    8. Article: Tuning electromechanics of dynamic ripple pattern in graphene monolayer
      Wu, HengAn and Liu, XiaoYi
      Carbon, 2016, 98, 510--518, 0
      http://www.sciencedirect.com/science/article/pii/S0008622315304206
      分区:1
    9. Article: Bimetal Doping in Nanoclusters: Synergistic or Counteractive?
      Yan, Nan and Liao, Lingwen and Yuan, Jinyun and Lin, Yue-jian and Weng, Lin-hong and Yang, Jinlong and Wu, Zhikun
      Chemistry of Materials, 2016, 28, 8240--8247, 22
      http://pubs.acs.org/doi/abs/10.1021/acs.chemmater.6b03132
      分区:1
    10. Article: Synergistic effects towards H 2 oxidation on the Cu–CeO 2 electrode: a combination study with DFT calculations and experiments
      Wang, Shuang and Zheng, Minghao and Li, Mei and Wu, Xiaojun and Xia, Changrong
      Journal of Materials Chemistry A, 2016, 4, 5745--5754, 15
      http://pubs.rsc.org/en/content/articlehtml/2016/ta/c6ta00732e
      分区:1
    11. Article: Two-dimensional van der Waals nanocomposites as Z-scheme type photocatalysts for hydrogen production from overall water splitting
      Fu, Cen-Feng and Luo, Qiquan and Li, Xingxing and Yang, Jinlong
      Journal of Materials Chemistry A, 2016, 4, 18892--18898, 48
      http://pubs.rsc.org/en/content/articlehtml/2016/ta/c6ta08769h
      分区:1
    12. Article: Effects of interlayer coupling and electric fields on the electronic structures of graphene and MoS 2 heterobilayers
      Hu, Wei and Wang, Tian and Zhang, Ruiqi and Yang, Jinlong
      Journal of Materials Chemistry C, 2016, 4, 1776--1781, 9
      http://pubs.rsc.org/en/content/articlehtml/2016/tc/c6tc00207b
      分区:1
    13. Article: Influence of N-anion-doping on the production and the photoluminescence properties of γ-Ca 2 SiO 4: Ce 3+ phosphors and the β→ γ phase transformation
      Ji, Weiwei and Ye, Shifan and Lee, Ming-Hsien and Hao, Luyuan and Xu, Xin and Agathopoulos, Simeon and Zheng, Dewen and Fang, Chaohe and Huang, Yuanrui
      Journal of Materials Chemistry C, 2016, 4, 3313--3320, 15
      http://pubs.rsc.org/en/content/articlehtml/2016/tc/c6tc00056h
      分区:1
    14. Article: Two-Dimensional Phosphorous Porous Polymorphs with Tunable Band Gaps
      Zhuo, Zhiwen and Wu, Xiaojun and Yang, Jinlong
      Journal of the American Chemical Society, 2016, 0
      http://pubs.acs.org/doi/abs/10.1021/jacs.6b02964
      分区:1
    15. Article: Cyclopolymerization of Disiloxane-Tethered Divinyl Monomers To Synthesize Chirality-Responsive Helical Polymers
      Li, Junjiang and Du, Min and Zhao, Zhongqiang and Liu, Hewen
      Macromolecules, 2016, 49, 445--454, 2
      http://pubs.acs.org/doi/abs/10.1021/acs.macromol.5b02142
      分区:1
    16. Article: Nitrogen-doping induced oxygen divacancies in freestanding molybdenum trioxide single-layers boosting electrocatalytic hydrogen evolution
      Liu, Katong and Zhang, Wenshuai and Lei, Fengcai and Liang, Liang and Gu, Bingchuan and Sun, Yongfu and Ye, Bangjiao and Ni, Wenxiu and Xie, Yi
      Nano Energy, 2016, 0
      http://www.sciencedirect.com/science/article/pii/S2211285516303780
      分区:1
    17. Article: Edge-modified phosphorene nanoflake heterojunctions as highly efficient solar cells
      Hu, Wei and Lin, Lin and Yang, Chao and Dai, Jun and Yang, Jinlong
      Nano letters, 2016, 16, 1675--1682, 3
      http://pubs.acs.org/doi/abs/10.1021/acs.nanolett.5b04593
      分区:1
    18. Article: Blockage of ultrafast and directional diffusion of Li atoms on phosphorene with intrinsic defects
      Zhang, Ruiqi and Wu, Xiaojun and Yang, Jinlong
      Nanoscale, 2016, 8, 4001--4006, 7
      http://pubs.rsc.org/is/content/articlehtml/2016/nr/c5nr06856h
      分区:1
    19. Article: Enhanced CO oxidation on CeO 2/Co 3 O 4 nanojunctions derived from annealing of metal organic frameworks
      Wang, Changlai and Wang, Dongdong and Yang, Yang and Li, Ren and Chen, Changle and Chen, Qianwang
      Nanoscale, 2016, 8, 19761--19768, 47
      http://pubs.rsc.org/en/content/articlehtml/2016/nr/c6nr07725k
      分区:1
    20. Article: From Isosuperatoms to Isosupermolecules: New Concepts in Cluster Science
      Liu, Liren and Li, Pai and Yuan, Lan-Feng and Cheng, Longjiu and Yang, Jinlong
      Nanoscale, 2016, 0
      http://pubs.rsc.org/en/content/articlehtml/2016/nr/c6nr01998f
      分区:1
    21. Article: Mn2C Monolayer: A 2D Antiferromagnetic Metal with High Néel Temperature and Large Spin-Orbit Coupling
      Hu, Lin and Wu, Xiaojun and Yang, Jinlong
      Nanoscale, 2016, 0
      http://pubs.rsc.org/en/content/articlehtml/2016/nr/c6nr02417c
      分区:1
    22. Article: New structures of bilayer germanium nanosheets predicted by a particle swarm optimization method
      Li, Dongdong and Li, Pengfei and Qu, Bingyan and Pan, B. C. and Zhang, B. and He, H. Y. and Zhou, Rulong
      Nanoscale, 2016, 8, 16467--16474, 36
      http://pubs.rsc.org/-/content/articlehtml/2016/nr/c6nr03672d
      分区:1
    23. Article: Point defects in lines in single crystalline phosphorene: directional migration and tunable band gaps
      Li, Xiuling and Ma, Liang and Wang, Dayong and Zeng, Xiao Cheng and Wu, Xiaojun and Yang, Jinlong
      nanoscale, 2016, 8, 17801--17808, 41
      http://pubs.rsc.org/-/content/articlehtml/2016/nr/c6nr05414e
      分区:1
    24. Article: The effect of external magnetic fields on the catalytic activity of Pd nanoparticles in Suzuki cross-coupling reactions
      Gao, Lei and Wang, Changlai and Li, Ren and Li, Ran and Chen, Qianwang
      Nanoscale, 2016, 8, 8355--8362, 15
      http://pubs.rsc.org/en/content/articlehtml/2016/nr/c6nr00575f
      分区:1
    25. Article: Transformation between divacancy defects induced by an energy pulse in graphene
      Xia, Jun and Liu, XiaoYi and Zhou, Wei and Wang, FengChao and Wu, HengAn
      Nanotechnology, 2016, 27, 274004, 27
      http://iopscience.iop.org/article/10.1088/0957-4484/27/27/274004/meta
      分区:1
    26. Article: Quantum spin Hall phase in 2D trigonal lattice
      Wang, ZF and Jin, Kyung-Hwan and Liu, Feng
      Nature Communications, 2016, 7, 0, Nature Research
      分区:1
    27. Article: Topological edge states in a high-temperature superconductor FeSe/SrTiO3 (001) film
      Wang, ZF and Zhang, Huimin and Liu, Defa and Liu, Chong and Tang, Chenjia and Song, Canli and Zhong, Yong and Peng, Junping and Li, Fangsen and Nie, Caina and others
      Nature Materials, 2016, 15, 968--973, 9, Nature Research
      分区:1
    28. Article: Gate-controlled topological conducting channels in bilayer graphene
      Li, Jing and Wang, Ke and McFaul, Kenton J. and Zern, Zachary and Ren, Yafei and Watanabe, Kenji and Taniguchi, Takashi and Qiao, Zhenhua and Zhu, Jun
      Nature Nanotechnology, 2016, 11, 1060--1065, 12
      http://www.nature.com/nnano/journal/v11/n12/abs/nnano.2016.158.html
      分区:1
    29. Article: Measurement of Singly Cabibbo Suppressed Decays Λ c+→ p π+ π- and Λ c+→ p K+ K-
      Ablikim, M. and Achasov, M. N. and Ahmed, S. and Ai, X. C. and Albayrak, O. and Albrecht, M. and Ambrose, D. J. and Amoroso, A. and An, F. F. and An, Q. and others
      Physical Review Letters, 2016, 117, 232002, 23
      https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.117.232002
      分区:1
    30. Article: Topological phases in two-dimensional materials: a review
      Ren, Yafei and Qiao, Zhenhua and Niu, Qian
      Reports on Progress in Physics, 2016, 79, 066501, 6, IOP Publishing
      分区:1
    31. Article: Shape-dependent internalization kinetics of nanoparticles by membranes
      Chen, Liping and Xiao, Shiyan and Zhu, Hong and Wang, Lei and Liang, Haojun
      Soft matter, 2016, 12, 2632--2641, 9
      http://pubs.rsc.org/en/content/articlehtml/2016/sm/c5sm01869b
      分区:1
    32. Article: Numerical analysis of turbulent round jet impingement heat transfer at high temperature difference
      Zhou, Taotao and Xu, Dong and Chen, Jing and Cao, Changmin and Ye, Taohong
      Applied Thermal Engineering, 2016, 100, 55--61, 0
      http://www.sciencedirect.com/science/article/pii/S1359431116301211
      分区:2
    33. Article: Conformational inversion-topomerization mechanism of ethylcyclohexyl isomers and its role in combustion kinetics
      Bian, Huiting and Wang, Zhandong and Sun, Jinhua and Zhang, Feng
      Proceedings of the Combustion Institute, 2016, 0
      http://www.sciencedirect.com/science/article/pii/S1540748916303078
      分区:2
    34. Article: Theoretical studies for reaction kinetics of cy-C 6 H 11 CH 2 radical with O 2
      Xing, Lili and Zhang, Feng and Zhang, Lidong
      Proceedings of the Combustion Institute, 2016, 0
      http://www.sciencedirect.com/science/article/pii/S1540748916304394
      分区:2
    35. Article: Numerical Investigation of Liquid Metal Magneto-Convection in a Squared Enclosure Based on OpenFOAM
      Feng, Jingchao and Chen, Hongli and He, Qingyun and Ye, Minyou
      Journal of Fusion Energy, 2016, 35, 498--504, 3
      http://link.springer.com/article/10.1007/s10894-016-0070-5
      分区:4
    36. InProceedings: (Invited) Entrapping a Group-VB Transition Metal, Vanadium, within an Endohedral Metallofullerene
      Yang, Shangfeng
      229th ECS Meeting (May 29-June 2, 2016), 2016, 0, Ecs
    37. InProceedings: AALRSMF: An Adaptive Learning Rate Schedule for Matrix Factorization
      Wei, Feng and Guo, Hao and Cheng, Shaoyin and Jiang, Fan
      Asia-Pacific Web Conference, 2016, 410--413, 0, Springer
      http://link.springer.com/chapter/10.1007/978-3-319-45817-5_36
    38. InProceedings: Hybridizing Different Local Search Algorithms with Each Other and Evolutionary Computation: Better Performance on the Traveling Salesman Problem
      Wu, Yuezhong and Weise, Thomas and Liu, Weichen
      Proceedings of the 18th Genetic and Evolutionary Computation Conference (GECCO’16), 2016, 0
      http://www.it-weise.de/research/publications/WWL2016HDLSAWEOAECBPOTTSP/WWL2016HDLSAWEOAECBPOTTSP.pdf
    39. InProceedings: Structured dictionary for computations reduction in sparse recovery
      Xie, Ronggui and Yin, Huarui and Chen, Xiaohui and Wei, Guo
      Wireless Communications & Signal Processing (WCSP), 2016 8th International Conference on, 2016, 1--5, 0, IEEE
      http://ieeexplore.ieee.org/abstract/document/7752642/
    40. Article: Crystal Engineering for Low Defect Density and High Efficiency Hybrid Chemical Vapor Deposition Grown Perovskite Solar Cells
      Ng, Annie and Ren, Zhiwei and Shen, Qian and Cheung, Sin-Hang and Gokkaya, Huseyin Cem and So, Shu Kong and djurisic, aleksandra B. and Wan, Yangyang and Wu, Xiaojun and Surya, Charles
      ACS Applied Materials & Interfaces, 2016, 0
      http://pubs.acs.org/doi/abs/10.1021/acsami.6b07513
      分区:1
    41. Article: Persistent Luminescence Hole-Type Materials by Design: Transition-Metal-Doped Carbon Allotrope and Carbides
      Qu, Bingyan and Zhang, Bo and Wang, Lei and Zhou, Rulong and Zeng, Xiao Cheng and Li, Liang
      ACS applied materials & interfaces, 2016, 8, 5439--5444, 8
      http://pubs.acs.org/doi/abs/10.1021/acsami.5b11609
      分区:1
    42. Article: Rutile TiO2 (011)-2$ extbackslashtimes$ 1 Reconstructed Surfaces with Optical Absorption over the Visible Light Spectrum
      Zhou, Rulong and Li, Dongdong and Qu, Bingyan and Sun, Xiaorui and Zhang, Bo and Zeng, Xiao Cheng
      ACS Applied Materials & Interfaces, 2016, 8, 27403--27410, 40
      http://pubs.acs.org/doi/abs/10.1021/acsami.6b10718
      分区:1
    43. Article: Activating Edge Sites on Pd Catalysts for Selective Hydrogenation of Acetylene via Selective Ga2O3 Decoration
      Ding, Liangbing and Yi, Hong and Zhang, Wenhua and You, Rui and Cao, Tian and Yang, Jinlong and Lu, Junling and Huang, Weixin
      ACS Catalysis, 2016, 0
      http://pubs.acs.org/doi/abs/10.1021/acscatal.6b00702
    44. Article: Mechanism of Vanadium-Catalyzed Selective C- O and C- C Cleavage of Lignin Model Compound
      Jiang, Yuan-Ye and Yan, Long and Yu, Hai-Zhu and Zhang, Qi and Fu, Yao
      ACS Catalysis, 2016, 0
      http://pubs.acs.org/doi/abs/10.1021/acscatal.6b00239
    45. Article: Tuning electronic structures of non-precious ternary alloys encapsulated in graphene layers for optimizing overall water splitting activity
      Yang, Yang and Lin, Zhiyu and Gao, Shiqi and Su, Jianwei and Lun, Zheng-yan and Xia, Guoliang and Chen, Jitang and Zhang, Ruirui and Chen, Qianwang
      ACS Catalysis, 2016, 0
      http://pubs.acs.org/doi/abs/10.1021/acscatal.6b02573
    46. Article: A first-principles study on the negative thermal expansion material: Mn3 (A0. 5B0. 5) N (A= Cu, Zn, Ag, or Cd; B= Si, Ge, or Sn)
      Qu, Bingyan and He, Haiyan and Pan, Bicai
      AIP Advances, 2016, 6, 075122, 7
      http://scitation.aip.org/content/aip/journal/adva/6/7/10.1063/1.4960428
    47. Article: An experimental investigation on blockage effect of metro train on the smoke back-layering in subway tunnel fires
      Zhang, Shaogang and Cheng, Xudong and Yao, Yongzheng and Zhu, Kai and Li, Kaiyuan and Lu, Song and Zhang, Ruifang and Zhang, Heping
      Applied Thermal Engineering, 2016, 99, 214--223, 0, Elsevier
      分区:2
    48. Article: Anderson Localization from Berry-Curvature Interchange in Quantum Anomalous Hall System
      Qiao, Zhenhua and Wang, Ke and Zhang, Lei and Han, Yulei and Deng, Xinzhou and Jiang, Hua and Yang, Shengyuan A. and Wang, Jian and Niu, Qian
      arXiv preprint arXiv:1601.07367, 2016, 0
      http://arxiv.org/abs/1601.07367
    49. Article: A many-body GW+ BSE investigation of electronic and optical properties of C2N
      Sun, Jiuyu and Zhang, Ruiqi and Li, Xingxing and Yang, Jinlong
      arXiv preprint arXiv:1602.03987, 2016, 0
      http://arxiv.org/abs/1602.03987
    50. Article: Non-reciprocal Radio Frequency Transduction in a Parametric Mechanical Artificial Lattice
      Huang, Pu and Zhang, Liang and Zhou, Jingwei and Tian, Tian and Yin, Peiran and Duan, Changkui and Du, Jiangfeng
      arXiv preprint arXiv:1602.06507, 2016, 0
    51. Article: Alignments of dark matter halos with large-scale tidal fields: mass and redshift dependence
      Chen, Sijie and Wang, Huiyuan and Mo, H. J. and Shi, Jingjing
      arXiv preprint arXiv:1603.04152, 2016, 0
      http://arxiv.org/abs/1603.04152
    52. Article: Water on Silicene: Hydrogen Bond Autocatalysis Induced Physisorption-Chemisorption-Dissociation Transition
      Hu, Wei and Li, Zhenyu and Yang, Jinlong
      arXiv preprint arXiv:1603.04372, 2016, 0
      http://arxiv.org/abs/1603.04372
    53. Article: Density affects the nature of the hexatic-liquid transition in two-dimensional melting of core-softened systems
      Zu, Mengjie and Liu, Jun and Tong, Hua and Xu, Ning
      arXiv preprint arXiv:1605.00747, 2016, 0
      http://arxiv.org/abs/1605.00747
    54. Article: Two-Dimensional Boron Oxides with Dirac Loop and Strongly anisotropic Carrier Mobility
      Zhang, Ruiqi and Yang, Jinlong
      arXiv preprint arXiv:1607.08290, 2016, 0
      https://arxiv.org/abs/1607.08290
    55. Article: Probabilistic Feature Selection and Classification Vector Machine
      Li, Chang and Chen, Huanhuan and Yao, Xin
      arXiv preprint arXiv:1609.05486, 2016, 0
      https://arxiv.org/abs/1609.05486
    56. Article: Identifying the Active Sites on N-doped Graphene toward Oxygen Evolution Reaction
      Kong, Xiangkai and Liu, Qiangchun and Chen, Debao and Chen, Guilin
      ChemCatChem, 2016, 0
      http://onlinelibrary.wiley.com/doi/10.1002/cctc.201601268/full
    57. Article: Structures and magnetism of mono-palladium and mono-platinum doped Au 25 (PET) 18 nanoclusters
      Tian, Shubo and Liao, Lingwen and Yuan, Jinyun and Yao, Chuanhao and Chen, Jishi and Yang, Jinlong and Wu, Zhikun
      Chemical Communications, 2016, 52, 9873--9876, 64
      http://pubs.rsc.org/-/content/articlehtml/2016/cc/c6cc02698b
    58. Article: Structure, temperature effect and bonding order analysis of hydrated bromide clusters
      Wen, Hui and Huang, Teng and Liu, Yi-Rong and Jiang, Shuai and Peng, Xiu-Qiu and Miao, Shou-Kui and Wang, Chun-Yu and Hong, Yu and Huang, Wei
      Chemical Physics, 2016, 479, 129--142, 0
      http://www.sciencedirect.com/science/article/pii/S0301010416303391
    59. Article: Fast transport of water molecules across carbon nanotubes induced by static electric fields
      Zhang, Qi-Lin and Yang, Rong-Yao
      Chemical Physics Letters, 2016, 644, 201--204, 0
      http://www.sciencedirect.com/science/article/pii/S0009261415009562
    60. Article: Computational Study of Formic Acid Dehydrogenation Catalyzed by AlIII–Bis (imino) pyridine
      Lu, Qian-Qian and Yu, Hai-Zhu and Fu, Yao
      Chemistry-A European Journal, 2016, 22, 4584--4591, 13
      http://onlinelibrary.wiley.com/doi/10.1002/chem.201504573/full
    61. Article: First-Principles Study on Doping of SnSe2 Monolayers
      Huang, YuCheng and Zhou, Danmei and Chen, Xi and Liu, Hai and Wang, Chan and Wang, Sufan
      ChemPhysChem, 2016, 17, 375--379, 3
      http://onlinelibrary.wiley.com/doi/10.1002/cphc.201501034/full
    62. Article: The g-C3N4/C2N Nanocomposite: A g-C3N4-Based Water-Splitting Photocatalyst with Enhanced Energy Efficiency
      Wang, Huimin and Li, Xingxing and Yang, Jinlong
      ChemPhysChem, 2016, 0
      http://onlinelibrary.wiley.com/doi/10.1002/cphc.201600209/full
    63. Article: Electronic Structures and Thermoelectric Properties of Two-Dimensional MoS2/MoSe2 Heterostructures
      Wu, Tian-min and Xu, Rui-xue and Zheng, Xiao and Zhuang, Wei
      Chinese Journal of Chemical Physics, 2016, 29, 445--452, 4
      http://scitation.aip.org/content/cps/journal/cjcp/29/4/10.1063/1674-0068/29/cjcp1512265
    64. Article: Virtual Screening of Human O-GlcNAc Transferase Inhibitors
      Zhou, Qing-tong and Liang, Hao-jun and Shakhnovich, Eugene
      Chinese Journal of Chemical Physics, 2016, 29, 374--380, 3
      http://scitation.aip.org/content/cps/journal/cjcp/29/3/10.1063/1674-0068/29/cjcp1510211?TRACK=RSS
    65. Article: Solvent effect on hydrogen bonded Tyr⋯ Asp⋯ Arg triads: Enzymatic catalyzed model system
      Yan, Shihai and Yao, Lishan and Kang, Baotao and Lee, Jin Yong
      Computational Biology and Chemistry, 2016, 65, 140--147, 0
      http://www.sciencedirect.com/science/article/pii/S1476927116303450
    66. Article: First-principles study of two-dimensional van der Waals heterojunctions
      Hu, Wei and Yang, Jinlong
      Computational Materials Science, 2016, 112, 518--526, 0
      http://www.sciencedirect.com/science/article/pii/S0927025615004000
    67. Article: Adaptive Multi-GPU Exchange Monte Carlo for the 3D Random Field Ising Model
      Navarro, Cristóbal A. and Huang, Wei and Deng, Youjin
      Computer Physics Communications, 2016, 205, 48--60, 0
      http://www.sciencedirect.com/science/article/pii/S0010465516300960
    68. Article: First-principles calculations of equilibrium fractionation of O and Si isotopes in quartz, albite, anorthite, and zircon
      Qin, Tian and Wu, Fei and Wu, Zhongqing and Huang, Fang
      Contributions to Mineralogy and Petrology, 2016, 171, 91, 11
      http://link.springer.com/article/10.1007/s00410-016-1303-3
    69. Article: Effect of wall thickness and helium cooling channels on duct magnetohydrodynamic flows
      He, Qingyun and Feng, Jingchao and Chen, Hongli
      Fusion Engineering and Design, 2016, 103, 45--52, 0
      http://www.sciencedirect.com/science/article/pii/S0920379615303768
    70. Article: Numerical analysis and optimization of 3D magnetohydrodynamic flows in rectangular U-bend
      He, Qingyun and Feng, Jingchao and Chen, Hongli
      Fusion Engineering and Design, 2016, 0
      http://www.sciencedirect.com/science/article/pii/S0920379615304221
    71. Article: Building Efficient Resource Management Systems in the Cloud: Opportunities and Challenges
      Xu, Lin and Li, Jing
      International Journal of Grid and Distributed Computing, 2016, 9, 157--172, 3
      http://www.sersc.org/journals/IJGDC/vol9_no3/18.pdf
    72. Article: Study of sonic injection from circular injector into a supersonic cross-flow using large eddy simulation
      Zhao, Majie and Ye, Taohong and Cao, Changmin and Zhou, Taotao and Zhu, Minming
      International Journal of Hydrogen Energy, 2016, 41, 17657--17669, 39
      http://www.sciencedirect.com/science/article/pii/S0360319916320262
    73. Article: First principles study of c-axis strain effect on the magnetic structure and ferroelectricity in double perovskite Y 2 MnCrO 6
      Hao, Lin and Yong, DingYu and Xie, XiangNan and Wang, HaoRu and Lin, GuanKai and Pan, BiCai and Zhu, Hong
      Journal of Alloys and Compounds, 2016, 0
      http://www.sciencedirect.com/science/article/pii/S0925838816334132
    74. Article: Metal-free Si-doped graphene: A new and enhanced anode material for Li ion battery
      Kong, Xiangkai
      Journal of Alloys and Compounds, 2016, 687, 534--540, 0
      http://www.sciencedirect.com/science/article/pii/S0925838816318734
    75. Article: Stabilization of BeZnO alloy by S incorporation: A density functional theory investigation
      Chen, Mingming and Yong, Dingyu and Wu, Chunxia and Shen, Zhen and Chen, Anqi and Zhu, Yuan and Pan, Bicai and Tang, Zikang
      Journal of Alloys and Compounds, 2016, 658, 636--641, 0
      http://www.sciencedirect.com/science/article/pii/S0925838815315474
    76. Article: The binding mechanism of a novel nicotinamide isostere inhibiting with TNKSs: a molecular dynamic simulation and binding free energy calculation
      Feng, Ting-Ting and Zhang, Yan-Jun and Chen, H. and Fan, Song and Han, Ju-Guang
      Journal of Biomolecular Structure and Dynamics, 2016, 34, 517--528, 3
      http://www.tandfonline.com/doi/abs/10.1080/07391102.2015.1043580
    77. Article: Efficient transport of droplet sandwiched between saw-tooth plates
      Wang, Liya and Wu, Hengan and Wang, Fengchao
      Journal of colloid and interface science, 2016, 462, 280--287, 0, Elsevier
    78. Article: Thermodynamic and elastic properties of pyrope at high pressure and high temperature by first-principles calculations
      Hu, Yi and Wu, Zhongqing and Dera, Przemyslaw K. and Bina, Craig R.
      Journal of Geophysical Research: Solid Earth, 2016, 121, 6462--6476, 9
      http://onlinelibrary.wiley.com/doi/10.1002/2016JB013026/full
    79. Article: Global versus local search: the impact of population sizes on evolutionary algorithm performance
      Weise, Thomas and Wu, Yuezhong and Chiong, Raymond and Tang, Ke and Lässig, Jörg
      Journal of Global Optimization, 2016, 1--24, 0
      http://link.springer.com/article/10.1007/s10898-016-0417-5
    80. Article: Ab-initio study on the structural and spectral properties of Ce 3+ in strontium silicates phosphors
      Cheng, Jun and Cai, Jiajia and Wen, Jun and Chen, Yonghu and Yin, Min and Duan, Changkui
      Journal of Luminescence, 2016, 177, 337--341, 0
      http://www.sciencedirect.com/science/article/pii/S0022231316301405
    81. Article: Effects of vacancies on valence stabilities of europium ions in β-Ca2SiO4: Eu phosphors
      Wen, Jun and Yeung, Yau-Yuen and Ning, Lixin and Duan, Chang-Kui and Huang, Yucheng and Zhang, Jie and Yin, Min
      Journal of Luminescence, 2016, 0
      https://www.researchgate.net/profile/Chang-Kui_Duan/publication/303713956_Effects_of_vacancies_on_valence_stabilities_of_europium_ions_in_b-Ca2SiO4_Eu_phosphors/links/57523a6608ae02ac1277b72e.pdf
    82. Article: Theory and experiment studies of the 1, 4-bis (4-methoxylstyryl) benzene as a wavelength shifter of liquid scintillator
      Zheng, Zhanlong and Zhu, Jiayi and Bi, Yutie and Xu, Yewei and Zhang, Qianfeng and Zhang, Xing and Li, Junjiang and Zhang, Lin
      Journal of Luminescence, 2016, 0
      http://www.sciencedirect.com/science/article/pii/S0022231316310237
    83. Article: Vacuum ultraviolet photoionization mass spectrometric study of cyclohexene
      Chen, Jun and Cao, Maoqi and Wei, Bin and Ding, Mengmeng and Shan, Xiaobin and Liu, Fuyi and Sheng, Liusi
      Journal of Mass Spectrometry, 2016, 51, 169--181, 2
      http://onlinelibrary.wiley.com/doi/10.1002/jms.3743/full
    84. Article: Structural features and thermal properties of W/Cu compounds using tight-binding potential calculations
      Ding, Wenyi and He, Haiyan and Pan, Bicai
      Journal of Materials Science, 2016, 51, 5948--5961, 12
      http://link.springer.com/article/10.1007/s10853-016-9896-5
    85. Article: DFT investigation on dihydrogen-bonded amine-borane complexes
      Yan, Shihai and Zou, Hongmei and Kang, Wukui and Sun, Lixiang
      Journal of molecular modeling, 2016, 22, 1--10, 1
      http://link.springer.com/article/10.1007/s00894-015-2886-8
    86. Article: Hydration effect on proton transfer in melamine- cyanuric acid complex
      Yan, Shihai and Kang, Baotao and Lee, Jin Yong and Sun, Lixiang
      Journal of molecular modeling, 2016, 22, 1--11, 7
      http://link.springer.com/article/10.1007/s00894-016-3038-5
    87. Article: The nucleation and growth of H blisters in dislocation loops in W $\$110$\$
      He, Zhihai and He, H. Y. and Pan, B. C.
      Journal of Nuclear Materials, 2016, 478, 222--226, 0
      http://www.sciencedirect.com/science/article/pii/S0022311516302732
    88. Article: Stagnation of a droplet on a conical substrate determined by the critical curvature ratio
      Li, YingQi and Wu, HengAn and Wang, FengChao
      Journal of Physics D: Applied Physics, 2016, 49, 085304, 8
      http://iopscience.iop.org/article/10.1088/0022-3727/49/8/085304/meta
    89. Article: Synthesis and photophysical properties of meso-aryloxy linked BODIPY monomers, dimers, and trimer
      Yu, Changjiang and Wu, Qinghua and Tian, Zhonghua and Li, Tingting and Hao, Erhong and Jiao, Lijuan
      Journal of Porphyrins and Phthalocyanines, 2016, 1--15, 0
      http://www.worldscientific.com/doi/abs/10.1142/S1088424616500309
    90. Article: Visible light excitable 3-formylBODIPYs for selective fluorescent and colorimetric sensing of cysteine
      Wu, Qinghua and Wu, Yangchun and Zhang, Min and Yu, Changjiang and Hao, Erhong and Jiao, Lijuan
      Journal of Porphyrins and Phthalocyanines, 2016, 1--12, 0
      http://www.worldscientific.com/doi/abs/10.1142/S1088424616500267
    91. Article: Large eddy simulation of turbulent premixed combustion using tabulated detailed chemistry and presumed probability density function
      Zhang, Hongda and Han, Chao and Ye, Taohong and Ren, Zhuyin
      Journal of Turbulence, 2016, 17, 327--355, 3
      http://www.tandfonline.com/doi/abs/10.1080/14685248.2015.1096364
    92. Article: Effect of a single nanoparticle on the contact line motion
      Li, Yingqi and Wu, Heng-An and Wang, Feng-Chao
      Langmuir, 2016, 0
      http://pubs.acs.org/doi/abs/10.1021/acs.langmuir.6b03595
    93. Article: An observational proxy of halo assembly time and its correlation with galaxy properties
      Lim, SH and Mo, HJ and Wang, Huiyuan and Yang, Xiaohu
      Monthly Notices of the Royal Astronomical Society, 2016, 455, 499--510, 1, Oxford University Press
    94. Article: Coherent transport through spin-crossover magnet Fe 2 complexes
      Huang, Jing and Xie, Rong and Wang, Weiyi and Li, Qunxiang and Yang, Jinlong
      Nanoscale, 2016, 8, 609--616, 1, Royal Society of Chemistry
      分区:1
    95. Article: Highly selective colorimetric and fluorescent BODIPY dyes for sensing of cysteine and/or homocysteine
      Wu, Qinghua and Zhou, Jinyuan and Wu, Yangchun and Yu, Changjiang and Hao, Erhong and Jiao, Lijuan
      New Journal of Chemistry, 2016, 40, 1387--1395, 2
      http://pubs.rsc.org/is/content/articlehtml/2016/nj/c5nj02346g
    96. Article: Transmission spectra and valley processing of graphene and carbon nanotube superlattices with inter-valley coupling
      Xu, Fuming and Yu, Zhizhou and Ren, Yafei and Wang, Bin and Wei, Yadong and Qiao, Zhenhua
      New Journal of Physics, 2016, 18, 113011, 11
      http://iopscience.iop.org/article/10.1088/1367-2630/18/11/113011/meta
    97. Article: Metal-Free Direct α-Selective Arylation of Boron Dipyrromethenes via Base-Mediated C–H Functionalization
      Zhou, Xin and Wu, Qinghua and Yu, Yang and Yu, Changjiang and Hao, Erhong and Wei, Yun and Mu, Xiaolong and Jiao, Lijuan
      Organic letters, 2016, 18, 736--739, 4
      http://pubs.acs.org/doi/abs/10.1021/acs.orglett.5b03706
    98. Article: Mechanism of Vanadium-Catalyzed Deoxydehydration of Vicinal Diols: Spin-Crossover-Involved Processes
      Jiang, Yuan-Ye and Jiang, Ju-Long and Fu, Yao
      Organometallics, 2016, 35, 3388--3396, 19
      http://pubs.acs.org/doi/abs/10.1021/acs.organomet.6b00602
    99. Article: A method of characterizing network topology based on the breadth-first search tree
      Zhou, Bin and He, Zhe and Wang, Nianxin and Wang, Bing-Hong
      Physica A: Statistical Mechanics and its Applications, 2016, 450, 682--686, 0
      http://www.sciencedirect.com/science/article/pii/S0378437116000911
    100. Article: Influence of synchronized traffic light on the states of bus operating system
      Ge, Shi-Gong and Ding, Zhong-Jun and Jiang, Rui and Shi, Qin and Kühne, Reinhart and Long, Jiancheng and Ding, Jian-Xun and Wang, Bing-Hong
      Physica A: Statistical Mechanics and its Applications, 2016, 453, 9--23, 0
      http://www.sciencedirect.com/science/article/pii/S0378437116002119
    101. Article: A first-principles study of the thermodynamic and electronic properties of Mg and MgH 2 nanowires
      Wu, Xinxing and Zhang, Ruiqi and Yang, Jinlong
      Physical Chemistry Chemical Physics, 2016, 18, 19412--19419, 28
      http://pubs.rsc.org/-/content/articlehtml/2016/cp/c6cp03183h
    102. Article: AB-stacked square-like bilayer ice in graphene nanocapillaries
      Zhu, YinBo and Wang, FengChao and Bai, Jaeil and Zeng, Xiao Cheng and Wu, HengAn
      Physical Chemistry Chemical Physics, 2016, 18, 22039--22046, 32
      http://pubs.rsc.org/-/content/articlehtml/2016/cp/c6cp03061k
    103. Article: Distribution and self-assisted diffusion of Be and Mg impurities in ZnO
      Yong, Dingyu and He, Haiyan and Tang, Zikang and Pan, Bicai
      Physical Chemistry Chemical Physics, 2016, 18, 19631--19636, 29
      http://pubs.rsc.org/-/content/articlehtml/2016/cp/c6cp03256g
    104. Article: Examining Structural Evolution of Bicarbonate-Water Clusters: Insights from Photoelectron Spectroscopy, Basin-Hopping Structural Search, and Comparison with Available IR Spectra Studies
      Wen, Hui and Hou, Gao-Lei and Liu, Yi-Rong and Wang, Xue-Bin and Huang, Wei
      Physical Chemistry Chemical Physics, 2016, 0
      http://pubs.rsc.org/en/content/articlehtml/2016/cp/c6cp01542e
    105. Article: Fe–Si networks in Na 2 FeSiO 4 cathode materials
      Wu, P. and Wu, S. Q. and Lv, X. and Zhao, X. and Ye, Z. and Lin, Z. and Wang, C. Z. and Ho, K. M.
      Physical Chemistry Chemical Physics, 2016, 18, 23916--23922, 34
      http://pubs.rsc.org/-/content/articlehtml/2016/cp/c6cp05135a
    106. Article: Observation of nanotwinning and room temperature ferromagnetism in sub-5 nm BiFeO 3 nanoparticles: a combined experimental and theoretical study
      Shirolkar, Mandar M. and Dong, Xiaolei and Li, Jieni and Yin, Shiliu and Li, Ming and Wang, Haiqian
      Physical Chemistry Chemical Physics, 2016, 18, 25409--25420, 36
      http://pubs.rsc.org/-/content/articlehtml/2016/cp/c6cp04369k
    107. Article: Solvent Effect on Triplet-Triplet Annihilation Upconversion of diiodo-Bodipy and Perylene
      Qiaohui, ZHOU and Zhou, Miaomiao and Wei, Yaxiong and Xiaoguo, ZHOU and Liu, Shilin and Zhang, Song and Zhang, Bing
      Physical Chemistry Chemical Physics, 2016, 0
      http://pubs.rsc.org/en/content/articlehtml/2016/cp/c6cp06897a
    108. Article: The formation of H bubbles at small-angle tilt grain boundaries in W films
      He, Zhihai and He, H. Y. and Ding, R. and Pan, B. C. and Chen, J. L.
      Physical Chemistry Chemical Physics, 2016, 18, 33103--33108, 48
      http://pubs.rsc.org/en/content/articlehtml/2016/cp/c6cp06178h
    109. Article: The influence of liquid Pb–Bi on the anti-corrosion behavior of Fe 3 O 4: a first-principles study
      Li, Dongdong and Qu, Bingyan and He, H. Y. and Zhang, Y. G. and Xu, Yichun and Pan, B. C. and Zhou, Rulong
      Physical Chemistry Chemical Physics, 2016, 18, 7789--7796, 11
      http://pubs.rsc.org/en/content/articlehtml/2016/cp/c5cp07564e
    110. Article: Towards an accurate specific reaction parameter density functional for water dissociation on Ni (111): RPBE versus PW91
      Jiang, Bin and Guo, Hua
      Physical Chemistry Chemical Physics, 2016, 18, 21817--21824, 31
      http://pubs.rsc.org/-/content/articlehtml/2016/cp/c6cp03707k
    111. Article: Two-dimensional interlocked pentagonal bilayer ice: how do water molecules form a hydrogen bonding network?
      Zhu, Weiduo and Zhao, Wen-Hui and Wang, Lu and Yin, Di and Jia, Min and Yang, Jinlong and Zeng, Xiao Cheng and Yuan, Lan-Feng
      Physical Chemistry Chemical Physics, 2016, 18, 14216--14221, 21
      http://pubs.rsc.org/en/content/articlehtml/2016/cp/c5cp07524f
    112. Article: Environment-modulated Kondo phenomena in FePc/Au (111) adsorption systems
      Wang, Yu and Zheng, Xiao and Yang, Jinlong
      Physical Review B, 2016, 93, 125114, 12, APS
    113. Article: Quantum anomalous Hall effect in atomic crystal layers from in-plane magnetization
      Ren, Yafei and Zeng, Junjie and Deng, Xinzhou and Yang, Fei and Pan, Hui and Qiao, Zhenhua
      Physical Review B, 2016, 94, 085411, 8
      https://journals.aps.org/prb/abstract/10.1103/PhysRevB.94.085411
    114. Article: Thermal rectification and negative differential thermal conductance in harmonic chains with nonlinear system-bath coupling
      Ming, Yi and Li, Hui-Min and Ding, Ze-Jun and others
      Physical Review E, 2016, 93, 032127, 3
      http://journals.aps.org/pre/abstract/10.1103/PhysRevE.93.032127
    115. Article: Carbon Tetragons as Definitive Spin Switches in Narrow Zigzag Graphene Nanoribbons
      Cui, Ping and Zhang, Qiang and Zhu, Hongbin and Li, Xiaoxia and Wang, Weiyi and Li, Qunxiang and Zeng, Changgan and Zhang, Zhenyu
      Physical review letters, 2016, 116, 026802, 2, APS
      分区:1
    116. Article: Advanced Algorithms for Local Routing Strategy on Complex Networks
      Lin, Benchuan and Chen, Bokui and Gao, Yachun and Chi, K. Tse and Dong, Chuanfei and Miao, Lixin and Wang, Binghong
      PloS one, 2016, 11, e0156756, 7
      http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0156756
    117. Article: An optimization method for the distance between exits of buildings considering uncertainties based on arbitrary polynomial chaos expansion
      Xie, Qimiao and Wang, Jinhui and Lu, Shouxiang and Hensen, Jan LM
      Reliability Engineering & System Safety, 2016, 0
      http://www.sciencedirect.com/science/article/pii/S0951832016300990
    118. Article: Ferroelectricity and magnetism in metal-formate frameworks of [NH 4][M (HCOO) 3](M= Sc to Zn): a first-principles study
      Sun, Yingjie and Zhuo, Zhiwen and Wu, Xiaojun
      RSC Advances, 2016, 6, 113234--113239, 114
      http://pubs.rsc.org/-/content/articlehtml/2016/ra/c6ra24182d
    119. Article: First-Principle Investigations of Vanadium Disulfide for Lithium and Sodium Ion Battery Applications
      Wang, Wenhui and Sun, Zhongti and Zhang, Wenshuai and Fan, Quanping and Sun, Qi and Cui, Xudong and Xiang, Bin
      RSC Advances, 2016, 0
      http://pubs.rsc.org/en/content/articlehtml/2016/ra/c6ra07586j
    120. Article: Hydration of oxalic acid–ammonia complex: atmospheric implication and Rayleigh-scattering properties
      Peng, Xiu-Qiu and Huang, Teng and Miao, Shou-Kui and Chen, Jiao and Wen, Hui and Feng, Ya-Juan and Hong, Yu and Wang, Chun-Yu and Huang, Wei
      RSC Advances, 2016, 6, 46582--46593, 52
      http://pubs.rsc.org/en/content/articlehtml/2016/ra/c6ra03164a
    121. Article: Mechanism for the enhanced reactivity of 4-mercaptoprolyl thioesters in native chemical ligation
      Shah, Muhammad Ishaq Ali and Xu, Zhe-Yuan and Liu, Lei and Jiang, Yuan-Ye and Shi, Jing
      RSC Advances, 2016, 6, 68312--68321, 72
      http://pubs.rsc.org/-/content/articlehtml/2016/ra/c6ra13793h
    122. Article: Mechanistic study of pressure and temperature dependent structural changes in reactive formation of silicon carbonate
      Qu, Bingyan and Li, Dongdong and Wang, Lei and Wu, Jili and Zhou, Rulong and Zhang, Bo and Zeng, Xiao Cheng
      RSC Advances, 2016, 6, 26650--26657, 32
      http://pubs.rsc.org/en/content/articlehtml/2016/ra/c5ra21981g
    123. Article: Synthesis, structure and photophysical properties of near-infrared 3, 5-diarylbenzoBODIPY fluorophores
      Wang, Jun and Wu, Qinghua and Xu, Yajun and Yu, Changjiang and Wei, Yun and Mu, Xiaolong and Hao, Erhong and Jiao, Lijuan
      RSC Advances, 2016, 6, 52180--52188, 57
      http://pubs.rsc.org/en/content/articlehtml/2016/ra/c6ra04412c
    124. Article: Suppression of Structural Phase Transition in VO2 by Epitaxial Strain in Vicinity of Metal-insulator Transition
      Yang, Mengmeng and Yang, Yuanjun and Hong, Bin and Wang, Liangxin and Hu, Kai and Dong, Yongqi and Xu, Han and Huang, Haoliang and Zhao, Jiangtao and Chen, Haiping and others
      Scientific reports, 2016, 6, 0
      http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4792152/
    125. Article: Unraveling low-resolution structural data of large biomolecules by constructing atomic models with experiment-targeted parallel cascade selection simulations
      Peng, Junhui and Zhang, Zhiyong
      Scientific Reports, 2016, 6, 0
      https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4932515/
    126. Article: Coupling 2D thermal and 3D optical model for performance prediction of a parabolic trough solar collector
      Huang, Weidong and Xu, Qian and Hu, Peng
      Solar Energy, 2016, 139, 365--380, 0
      http://www.sciencedirect.com/science/article/pii/S0038092X16304406
    127. Article: LSP modes of Ag nanocube and dimer studied by DDA simulation
      Zhang, K. J. and Da, B. and Ding, Z. J.
      Surface and Interface Analysis, 2016, 48, 1256--1262, 11
      http://onlinelibrary.wiley.com/doi/10.1002/sia.6081/full
    128. Article: ELUCID—EXPLORING THE LOCAL UNIVERSE WITH RECONSTRUCTED INITIAL DENSITY FIELD. III. CONSTRAINED SIMULATION IN THE SDSS VOLUME
      Wang, Huiyuan and Mo, H. J. and Yang, Xiaohu and Zhang, Youcai and Shi, JingJing and Jing, Y. P. and Liu, Chengze and Li, Shijie and Kang, Xi and Gao, Yang
      The Astrophysical Journal, 2016, 831, 164, 2
      http://iopscience.iop.org/article/10.3847/0004-637X/831/2/164/meta
    129. Article: Anisotropy induced Kondo splitting in a mechanically stretched molecular junction: A first-principles based study
      Wang, Xiaoli and Hou, Dong and Zheng, Xiao and Yan, YiJing
      The Journal of chemical physics, 2016, 144, 034101, 3
      http://scitation.aip.org/content/aip/journal/jcp/144/3/10.1063/1.4939843
    130. Article: Buckling failure of square ice-nanotube arrays constrained in graphene nanocapillaries
      Zhu, YinBo and Wang, FengChao and Wu, HengAn
      The Journal of Chemical Physics, 2016, 145, 054704, 5
      http://scitation.aip.org/content/aip/journal/jcp/145/5/10.1063/1.4959902
    131. Article: Electron-hole pair effects in methane dissociative chemisorption on Ni (111)
      Luo, Xuan and Jiang, Bin and Juaristi, J. Iñaki and Alducin, Maite and Guo, Hua
      The Journal of Chemical Physics, 2016, 145, 044704, 4
      http://scitation.aip.org/content/aip/journal/jcp/145/4/10.1063/1.4959288
    132. Article: Quantum dynamics of water dissociative chemisorption on rigid Ni (111): An approximate nine-dimensional treatment
      Jiang, Bin and Song, Hongwei and Yang, Minghui and Guo, Hua
      The Journal of chemical physics, 2016, 144, 164706, 16
      http://scitation.aip.org/content/aip/journal/jcp/144/16/10.1063/1.4947492
    133. Article: Aromatic-ring-fused BOPHYs as Stable Red Fluorescent Dyes
      Wang, Jun and Wu, Qinghua and Yu, Changjiang and Wei, Yun and Mu, Xiaolong and Hao, Erhong and Jiao, Lijuan
      The Journal of Organic Chemistry, 2016, 0
      http://pubs.acs.org/doi/abs/10.1021/acs.joc.6b02291
    134. Article: Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties
      Yu, Changjiang and Wu, Qinghua and Wang, Jun and Wei, Yun and Hao, Erhong and Jiao, Lijuan
      The Journal of organic chemistry, 2016, 81, 3761--3770, 9
      http://pubs.acs.org/doi/abs/10.1021/acs.joc.6b00414
    135. Article: Rational Ligand Design for an Efficient Biomimetic Water Splitting Complex
      Xu, Penglin and Zhou, Ting and Intan, Nadia Natalia and Hu, Shaojin and Zheng, Xiao
      The Journal of Physical Chemistry A, 2016, 0
      http://pubs.acs.org/doi/abs/10.1021/acs.jpca.6b10154
    136. Article: Vibrational Effects on Electron Momentum Distributions of Outer-Valence Orbitals of Oxetane
      Tang, Yaguo and Shan, Xu and Yang, Jing and Niu, Shanshan and Zhang, Zhe and Watanabe, Noboru and Yamazaki, Masakazu and Takahashi, Masahiko and Chen, Xiangjun
      The Journal of Physical Chemistry A, 2016, 120, 6855--6863, 34
      http://pubs.acs.org/doi/abs/10.1021/acs.jpca.6b06706
    137. Article: π-Hydrogen Bonding of Aromatics on Surface of Aerosols: Insights from Ab initio and Molecular Dynamics Simulation
      Feng, Ya-Juan and Huang, Teng and Wang, Chao and Liu, Yi-Rong and Jiang, Shuai and Miao, Shou-Kui and Chen, Jiao and Huang, Wei
      The Journal of Physical Chemistry B, 2016, 0
      http://pubs.acs.org/doi/abs/10.1021/acs.jpcb.6b01180
    138. Article: Density Functional Theory Investigation on Thiophene Hydrodesulfurization Mechanism Catalyzed by ReS2 (001) Surface
      Huang, Yucheng and Liu, Hai and Chen, Xi and Zhou, Danmei and Wang, Chan and Du, Jinyan and Zhou, Tao and Wang, Sufan
      The Journal of Physical Chemistry C, 2016, 0
      http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b02769
    139. Article: Origin of Steric Effects in Methane Dissociative Chemisorption
      Jiang, Bin and Guo, Hua
      The Journal of Physical Chemistry C, 2016, 120, 8220--8226, 15
      http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b01951
    140. Article: Stabilities, Electronic and Optical Properties of SnSe2 (1–x) S2 x Alloys: A First-Principles Study
      Huang, Yucheng and Chen, Xi and Zhou, Danmei and Liu, Hai and Wang, Chan and Du, Jinyan and Ning, Lixin and Wang, Sufan
      The Journal of Physical Chemistry C, 2016, 120, 5839--5847, 10
      http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b00794
    141. Article: Three-Dimensional Covalently Linked Allotropic Structures of Phosphorus
      Zhuo, Zhiwen and Wu, Xiaojun and Yang, Jinlong
      The Journal of Physical Chemistry C, 2016, 0
      http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b10873
    142. Article: Removal of halogenated emerging contaminants from water by nitrogen-doped graphene decorated with palladium nanoparticles: Experimental investigation and theoretical analysis
      Li, Lei and Gong, Li and Wang, Yi-Xuan and Liu, Qi and Zhang, Jie and Mu, Yang and Yu, Han-Qing
      Water research, 2016, 98, 235--241, 0
      http://www.sciencedirect.com/science/article/pii/S0043135416302305

    2015年:136篇

    1. Article: Comparative Study on Electronic Structures of Sc and Ti Contacts with Monolayer and Multilayer MoS2
      Li, Zhong-Jun and Li, Xingxing and Yang, Jinlong
      ACS Applied Materials & Interfaces, 2015, 0
      http://pubs.acs.org/doi/abs/10.1021/acsami.5b02782
      分区:1
    2. Article: Experimental and Theoretical Studies on the Effects of Magnetic Fields on the Arrangement of Surface Spins and the Catalytic Activity of Pd Nanoparticles
      Li, Ran and Yang, Yang and Li, Ren and Chen, Qianwang
      ACS Applied Materials & Interfaces, 2015, 7, 6019--6024, 11
      http://pubs.acs.org/doi/abs/10.1021/am509218a
      分区:1
    3. Article: Roles of Crystal Surface in Pt-Loaded Titania for Photocatalytic Conversion of Organic Pollutants: A First-Principle Theoretical Calculation
      Chen, Jiejie and Wang, Wei-Kang and Li, Wen-Wei and Pei, Dan-Ni and Yu, Han-Qing
      ACS Applied Materials & Interfaces, 2015, 0
      http://pubs.acs.org/doi/abs/10.1021/acsami.5b00079
      分区:1
    4. Article: Synthesis of Pt-Loaded Self-Interspersed Anatase TiO2 with a Large Fraction of (001) Facets for Efficient Photocatalytic Nitrobenzene Degradation
      Wang, Wei-Kang and Chen, Jiejie and Li, Wen-Wei and Pei, Dan-Ni and Zhang, Xing and Yu, Han-Qing
      ACS Applied Materials & Interfaces, 2015, 0
      http://pubs.acs.org/doi/abs/10.1021/acsami.5b06161
      分区:1
    5. Article: Compression Limit of Two-Dimensional Water Constrained in Graphene Nanocapillaries
      Zhu, YinBo and Wang, FengChao and Bai, Jaeil and Zeng, Xiao Cheng and Wu, HengAn
      ACS nano, 2015, 9, 12197--12204, 12
      http://pubs.acs.org/doi/abs/10.1021/acsnano.5b06572
      分区:1
    6. Article: Atomic-Layer-Confined Doping for Atomic-Level Insights into Visible-Light Water Splitting
      Lei, Fengcai and Zhang, Lei and Sun, Yongfu and Liang, Liang and Liu, Katong and Xu, Jiaqi and Zhang, Qun and Pan, Bicai and Luo, Yi and Xie, Yi
      Angewandte Chemie International Edition, 2015, 54, 9266--9270, 32
      http://onlinelibrary.wiley.com/doi/10.1002/anie.201503410/full
      分区:1
    7. Article: Ultrathin Co3O4 Layers Realizing Optimized CO2 Electroreduction to Formate
      Gao, Shan and Jiao, Xingchen and Sun, Zhongti and Zhang, Wenhua and Sun, Yongfu and Wang, Chengming and Hu, Qitao and Zu, Xiaolong and Yang, Fan and Yang, Shuyang and others
      Angewandte Chemie International Edition, 2015, 0
      http://onlinelibrary.wiley.com/doi/10.1002/anie.201509800/full
      分区:1
    8. Article: Aeration and mass transfer optimization in a rectangular airlift loop photobioreactor for the production of microalgae
      Guo, Xin and Yao, Lishan and Huang, Qingshan
      Bioresource technology, 2015, 190, 189--195, 0
      http://www.sciencedirect.com/science/article/pii/S096085241500601X
      分区:1
    9. Article: Mechanistic study of the persistent luminescence of CaAl2O4: Eu, Nd
      Qu, Bingyan and Zhang, Bo and Wang, Lei and Zhou, Rulong and Zeng, Xiao Cheng
      Chemistry of Materials, 2015, 27, 2195--2202, 6
      http://pubs.acs.org/doi/abs/10.1021/acs.chemmater.5b00288
      分区:1
    10. Article: A high performance cathode for proton conducting solid oxide fuel cells
      Wang, Zhiquan and Yang, Wenqiang and Shafi, Shahid P. and Bi, Lei and Wang, Zhenbin and Peng, Ranran and Xia, Changrong and Liu, Wei and Lu, Yalin
      Journal of Materials Chemistry A, 2015, 3, 8405--8412, 16
      http://pubs.rsc.org/en/content/articlehtml/2015/ta/c5ta00391a
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    11. Article: Experimental and theoretical investigations of nitro-group doped porous carbon as a high performance lithium-ion battery anode
      Yang, Yang and Zheng, Fangcai and Xia, Guoliang and Lun, Zhengyan and Chen, Qianwang
      Journal of Materials Chemistry A, 2015, 3, 18657--18666, 36
      http://pubs.rsc.org/en/content/articlehtml/2015/ta/c5ta05676d
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    12. Article: Formation of bilayer clathrate hydrates
      Zhao, Wen-Hui and Bai, Jaeil and Wang, Lu and Yuan, Lan-Feng and Yang, Jinlong and Francisco, Joseph S and Zeng, Xiao Cheng
      Journal of Materials Chemistry A, 2015, 3, 5547--5555, 10, Royal Society of Chemistry
      分区:1
    13. Article: MoP is a novel, noble-metal-free cocatalyst for enhanced photocatalytic hydrogen production from water under visible light
      Yue, Qiudi and Wan, Yangyang and Sun, Zijun and Wu, Xiaojun and Yuan, Yupeng and Du, Pingwu
      Journal of Materials Chemistry A, 2015, 3, 16941--16947, 33
      http://pubs.rsc.org/en/content/articlehtml/2015/ta/c5ta03949e
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    14. Article: Synthesis of FeP 2/C nanohybrids and their performance for hydrogen evolution reaction
      Jiang, Jun and Wang, Chunde and Zhang, Jiajia and Wang, Wenliang and Zhou, Xiaoli and Pan, Bicai and Tang, Kaibin and Zuo, Jian and Yang, Qing
      Journal of Materials Chemistry A, 2015, 3, 499--503, 2
      http://pubs.rsc.org/en/content/articlehtml/2014/ta/c4ta04758c
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    15. Article: Tunable Schottky contacts in hybrid graphene-phosphorene nanocomposites
      Hu, Wei and Wang, Tian and Yang, Jinlong
      Journal of Materials Chemistry C, 2015, 3, 18, 4756-4761, 0, The Royal Society of Chemistry
      http://dx.doi.org/10.1039/C5TC00759C
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    16. Article: Tunable Schottky contacts in hybrid graphene–phosphorene nanocomposites
      Hu, Wei and Wang, Tian and Yang, Jinlong
      Journal of Materials Chemistry C, 2015, 3, 4756--4761, 18
      http://pubs.rsc.org/en/content/articlehtml/2015/tc/c5tc00759c
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    17. Article: An oxygen reduction catalyst derived from a robust Pd-reducing bacterium
      Xiong, Lu and Chen, Jie-Jie and Huang, Yu-Xi and Li, Wen-Wei and Xie, Jia-Fang and Yu, Han-Qing
      Nano Energy, 2015, 12, 33--42, 0, Elsevier
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    18. Article: Effects of stacking order, layer number and external electric field on electronic structures of few-layer C 2 N-h 2D
      Zhang, Ruiqi and Li, Bin and Yang, Jinlong
      Nanoscale, 2015, 7, 14062--14070, 33
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    19. Article: Nano-scale displacement sensing based on van der Waals interactions
      Hu, Lin and Zhao, Jin and Yang, Jinlong
      Nanoscale, 2015, 7, 8962--8967, 19
      http://pubs.rsc.org/en/content/articlehtml/2015/nr/c5nr00023h
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    20. Article: Understanding the origin of phase segregation of nano-crystalline in a Be x Zn 1- x O random alloy: a novel phase of Be 1/3 Zn 2/3 O
      Yong, Dingyu and He, Haiyan and Su, Longxing and Zhu, Yuan and Tang, Zikang and Zeng, Xiao Cheng and Pan, Bicai
      Nanoscale, 2015, 7, 9852--9858, 21
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    21. Article: Square ice in graphene nanocapillaries
      Algara-Siller, G and Lehtinen, O and Wang, FC and Nair, RR and Kaiser, U and Wu, HA and Geim, AK and Grigorieva, IV
      Nature, 2015, 519, 443--445, 7544, Nature Publishing Group
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    22. Article: The positive piezoconductive effect in graphene
      Xu, Kang and Wang, Ke and Zhao, Wei and Bao, Wenzhong and Liu, Erfu and Ren, Yafei and Wang, Miao and Fu, Yajun and Zeng, Junwen and Li, Zhaoguo and others
      Nature Communications, 2015, 6, 0
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    23. Article: Distinguishing adjacent molecules on a surface using plasmon-enhanced Raman scattering
      Jiang, Song and Zhang, Yao and Zhang, Rui and Hu, Chunrui and Liao, Menghan and Luo, Yi and Yang, Jinlong and Dong, Zhenchao and Hou, JG
      Nature Nanotechnology, 2015, 0, Nature Publishing Group
      分区:1
    24. Article: Carbon Dimers as the Dominant Feeding Species in Epitaxial Growth and Morphological Phase Transition of Graphene on Different Cu Substrates
      Wu, Ping and Zhang, Yue and Cui, Ping and Li, Zhenyu and Yang, Jinlong and Zhang, Zhenyu
      Physical Review Letters, 2015, 114, 216102, 21
      http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.114.216102
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    25. Article: Gram-Scale Aqueous Synthesis of Stable Few-Layered 1T-MoS2: Applications for Visible-Light-Driven Photocatalytic Hydrogen Evolution
      Liu, Qin and Li, Xiuling and He, Qun and Khalil, Adnan and Liu, Daobin and Xiang, Ting and Wu, Xiaojun and Song, Li
      Small, 2015, 0
      http://onlinelibrary.wiley.com/doi/10.1002/smll.201501822/full
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    26. Article: Stable Metallic 1T-WS2 Nanoribbons Intercalated with Ammonia Ions: The Correlation between Structure and Electrical/Optical Properties
      Liu, Qin and Li, Xiuling and Xiao, Zhangru and Zhou, Yu and Chen, Haipin and Khalil, Adnan and Xiang, Ting and Xu, Junqing and Chu, Wangsheng and Wu, Xiaojun and others
      Advanced Materials, 2015, 27, 4837--4844, 33, Wiley Online Library
    27. Article: Fe/Co doped molybdenum diselenide: a promising two-dimensional intermediate-band photovoltaic material
      Zhang, Jiajia and He, Haiyan and Pan, Bicai
      Nanotechnology, 2015, 26, 195401, 19, IOP Publishing
    28. Article: Electric-Field-Driven Dual Vacancies Evolution in Ultrathin Nanosheets Realizing Reversible Semiconductor to Half-Metal Transition
      Lyu, Mengjie and Liu, Youwen and Zhi, Yuduo and Xiao, Chong and Gu, Bingchuan and Hua, Xuemin and Fan, Shaojuan and Lin, Yue and Bai, Wei and Tong, Wei and others
      Journal of the American Chemical Society, 2015, 137, 15043--15048, 47
      http://pubs.acs.org/doi/abs/10.1021/jacs.5b10212
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    29. Article: Mono-cadmium vs Mono-mercury Doping of Au25 Nanoclusters
      Yao, Chuanhao and Lin, Yue-jian and Yuan, Jinyun and Liao, Lingwen and Zhu, Min and Weng, Lin-hong and Yang, Jinlong and Wu, Zhikun
      Journal of the American Chemical Society, 2015, 137, 15350--15353, 49
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    30. Article: Structural isomerism in gold nanoparticles revealed by X-ray crystallography
      Tian, Shubo and Li, Yi-Zhi and Li, Man-Bo and Yuan, Jinyun and Yang, Jinlong and Wu, Zhikun and Jin, Rongchao
      Nature communications, 2015, 6, 0
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    31. Article: Surface excitation parameter for rough surfaces
      Da, Bo and Salma, Khanam and Ji, Hui and Mao, Shifeng and Zhang, Guanghui and Wang, Xiaoping and Ding, Zejun
      Applied Surface Science, 2015, 356, 142--149, 0
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    32. Article: Modeling transport phenomena and reactions in a pilot slurry airlift loop reactor for direct coal liquefaction
      Huang, Qingshan and Zhang, Weipeng and Yang, Chao
      Chemical Engineering Science, 2015, 0
      http://www.sciencedirect.com/science/article/pii/S0009250915000184
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    33. Article: Extinguishment of hydrogen diffusion flames by ultrafine water mist in a cup burner apparatus–A numerical study
      Feng, Ming-Hui and Li, Quan-Wei and Qin, Jun
      International Journal of Hydrogen Energy, 2015, 0
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    34. Article: Matrix product state approach to a frustrated spin chain with long-range interactions
      Li, Zhi-Hua and Wang, An-Min
      Physical Review B, 2015, Jun, 91, 23, 235110, 0, 7, American Physical Society
      http://link.aps.org/doi/10.1103/PhysRevB.91.235110
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    35. Article: Single-valley engineering in graphene superlattices
      Ren, Yafei and Deng, Xinzhou and Qiao, Zhenhua and Li, Changsheng and Jung, Jeil and Zeng, Changgan and Zhang, Zhenyu and Niu, Qian
      Physical Review B, 2015, Jun, 91, 24, 245415, 0, 8, American Physical Society
      http://link.aps.org/doi/10.1103/PhysRevB.91.245415
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    36. Article: Flow Patterns around Dark Matter Halos: The Link between Halo Dynamical Properties and Large-scale Tidal Field
      Jingjing Shi and Huiyuan Wang and H. J. Mo
      The Astrophysical Journal, 2015, 807, 37, 1
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    37. Article: Improving the efficiency of hierarchical equations of motion approach and application to coherent dynamics in Aharonov–Bohm interferometers
      Hou, Dong and Wang, Shikuan and Wang, Rulin and Ye, LvZhou and Xu, RuiXue and Zheng, Xiao and Yan, YiJing
      The Journal of chemical physics, 2015, 142, 104112, 10
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    38. Article: Tandem Regioselective Substitution and Palladium-Catalyzed Ring Fusion Reaction for Core-Expanded Boron Dipyrromethenes with Red-Shifted Absorption and Intense Fluorescence
      Zhou, Xin and Wu, Qinghua and Feng, Yuanmei and Yu, Yang and Yu, Changjiang and Hao, Erhong and Wei, Yun and Mu, Xiaolong and Jiao, Lijuan
      Chemistry--An Asian Journal, 2015, 10, 1979--1986, 9, Wiley Online Library
    39. Article: Development of a tight-binding model for Cu and its application to a Cu-heat-sink under irradiation
      Ding, Wenyi and He, Haiyan and Pan, Bicai
      Journal of Materials Science, 2015, 50, 5684--5693, 17, Springer
    40. Article: H-stabilized shallow acceptors in N-doped ZnO
      Yong, DY and He, HY and Tang, ZK and Wei, Su-Huai and Pan, BC
      Physical Review B, 2015, 92, 235207, 23, APS
    41. Article: Proposal of a general scheme to obtain room-temperature spin polarization in asymmetric antiferromagnetic semiconductors
      Li, Xingxing and Wu, Xiaojun and Li, Zhenyu and Yang, Jinlong
      Physical Review B, 2015, 92, 125202, 12, APS
    42. Article: Role of geometry and topological defects in the one-dimensional zero-line modes of graphene
      Bi, Xintao and Jung, Jeil and Qiao, Zhenhua
      Physical Review B, 2015, 92, 235421, 23, APS
    43. Article: Performance analysis of Azimuth Tracking Fixed Mirror Solar Concentrator
      Li, Longlong and Li, Huairui and Xu, Qian and Huang, Weidong
      Renewable Energy, 2015, 75, 722--732, 0, Elsevier
    44. Article: Structural insights into HetR- PatS interaction involved in cyanobacterial pattern formation
      Hu, Hai-Xi and Jiang, Yong-Liang and Zhao, Meng-Xi and Cai, Kun and Liu, Sanling and Wen, Bin and Lv, Pei and Zhang, Yonghui and Peng, Junhui and Zhong, Hui and others
      Scientific reports, 2015, 5, 0, Nature Publishing Group
    45. Article: Mechanism of Aldehyde-Selective Wacker-Type Oxidation of Unbiased Alkenes with a Nitrite Co-Catalyst
      Jiang, Yuan-Ye and Zhang, Qi and Yu, Hai-Zhu and Fu, Yao
      ACS Catalysis, 2015, 5, 1414--1423, 3
      http://pubs.acs.org/doi/abs/10.1021/cs5018776
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    46. Article: Mechanism of the Visible Light-Mediated Gold-Catalyzed Oxyarylation Reaction of Alkenes
      Zhang, Qi and Zhang, Zhen-Qi and Fu, Yao and Yu, Haizhu
      ACS Catalysis, 2015, 0
      http://pubs.acs.org/doi/abs/10.1021/acscatal.5b01971
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    47. Article: Mechanistic Study on Ligand-Controlled Rh (I)-Catalyzed Coupling Reaction of Alkene-Benzocyclobutenone
      Lu, Qianqian and Wang, Bing and Yu, Haizhu and Fu, Yao
      ACS Catalysis, 2015, 5, 4881--4889, 8
      http://pubs.acs.org/doi/abs/10.1021/acscatal.5b00891
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    48. Article: Decolorization by Caldicellulosiruptor saccharolyticus with dissolved hydrogen under extreme thermophilic conditions
      Shen, Nan and Huo, Ying-Chao and Chen, Jie-Jie and Zhang, Fang and Zheng, Hang and Zeng, Raymond J
      Chemical Engineering Journal, 2015, 262, 847--853, 0, Elsevier
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    49. Article: A flexible transition state searching method for atmospheric reaction systems
      Lin, Xiao-Xiao and Liu, Yi-Rong and Huang, Teng and Chen, Jiao and Jiang, Shuai and Huang, Wei
      Chemical Physics, 2015, 450, 21--31, 0
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    50. Article: Probing the structures and electronic properties of dual-phosphorus-doped gold cluster anions (, n= 1–8): A density functional theory investigation
      Xu, Kang-Ming and Huang, Teng and Liu, Yi-Rong and Jiang, Shuai and Zhang, Yang and Lv, Yu-Zhou and Gai, Yan-Bo and Huang, Wei
      Chemical Physics, 2015, 456, 13--21, 0
      http://www.sciencedirect.com/science/article/pii/S0301010415001226
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    51. Article: Mechanism of Nickel (II)-Catalyzed Oxidative C (sp2)- H/C (sp3)- H Coupling of Benzamides and Toluene Derivatives
      Xu, Zheng-Yang and Jiang, Yuan-Ye and Yu, Hai-Zhu and Fu, Yao
      Chemistry-An Asian Journal, 2015, 0
      http://onlinelibrary.wiley.com/doi/10.1002/asia.201500599/full
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    52. Article: Design of Bodipy based organic dyes for high-efficient dye-sensitized solar cells employing double electron acceptors
      Mao, Mao and Zhang, Xiaolin and Cao, Le and Tong, Yao and Wu, Guahua
      Dyes and Pigments, 2015, 117, 28--36, 0
      http://www.sciencedirect.com/science/article/pii/S0143720815000376
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    53. Article: Non-precious alloy encapsulated in nitrogen-doped graphene layers derived from MOFs as an active and durable hydrogen evolution reaction catalyst
      Yang, Yang and Lun, Zhengyan and Xia, Guoliang and Zheng, Fangcai and He, Mengni and Chen, Qianwang
      Energy & Environmental Science, 2015, 8, 3563--3571, 12
      http://pubs.rsc.org/en/content/articlehtml/2015/ee/c5ee02460a
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    54. Article: Role of Oxygen Vacancy on the Photoluminescence of BaMgSiO4: Eu Phosphors: Experimental and Theoretical Analysis
      Ji, Weiwei and Lee, Ming-Hsien and Hao, Luyuan and Xu, Xin and Agathopoulos, Simeon and Zheng, Dewen and Fang, Chaohe
      Inorganic Chemistry, 2015, 54, 1556--1562, 4
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    55. Article: Conformation-Restricted Partially and Fully Fused BODIPY Dimers as Highly Stable Near-Infrared Fluorescent Dyes
      Wang, Jun and Wu, Qinghua and Wang, Shaowu and Yu, Changjiang and Li, Jin and Hao, Erhong and Wei, Yun and Mu, Xiaolong and Jiao, Lijuan
      Organic letters, 2015, 17, 5360--5363, 21, ACS Publications
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    56. Article: A computational view of the change in the geometric and electronic properties of perovskites caused by the partial substitution of Pb by Sn
      Ju, Ming-Gang and Sun, Guangxu and Zhao, Yi and Liang, WanZhen
      Physical Chemistry Chemical Physics, 2015, 17, 17679--17687, 27
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    57. Article: Anomalous twisting strength of tilt grain boundaries in armchair graphene nanoribbons
      Liu, XiaoYi and Wang, FengChao and Wu, HengAn
      Physical Chemistry Chemical Physics, 2015, 17, 31911--31916, 47
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    58. Article: Gas-phase dynamics in graphene growth by chemical vapour deposition
      Li, Gan and Huang, Sheng-Hong and Li, Zhenyu
      Physical Chemistry Chemical Physics, 2015, 17, 22832--22836, 35
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    59. Article: Interaction of gas phase oxalic acid with ammonia and its atmospheric implications
      Peng, Xiu-Qiu and Liu, Yi-Rong and Huang, Teng and Jiang, Shuai and Huang, Wei
      Physical Chemistry Chemical Physics, 2015, 17, 9552--9563, 14
      http://pubs.rsc.org/en/content/articlehtml/2015/cp/c5cp00027k
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    60. Article: Quantum-trajectory Monte Carlo method for study of electron–crystal interaction in STEM
      Ruan, Z. and Zeng, R. G. and Ming, Y. and Zhang, M. and Da, B. and Mao, S. F. and Ding, Z. J.
      Physical Chemistry Chemical Physics, 2015, 17, 17628--17637, 27
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    61. Article: High-Efficiency Cooper-Pair Splitter in Quantum Anomalous Hall Insulator Proximity-Coupled with Superconductor
      Zhang, Ying-Tao and Deng, Xinzhou and Sun, Qing-Feng and Qiao, Zhenhua
      Scientific reports, 2015, 5, 0
      http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4598733/
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    62. Article: Molecular origin of contact line stick-slip motion during droplet evaporation
      Wang, FengChao and Wu, HengAn
      Scientific reports, 2015, 5, 0
      http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4667246/
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    63. Article: Three-Dimensional Assignment of the Structures of Atomic Clusters: an Example of Au8M (M= Si, Ge, Sn) Anion Clusters
      Liu, Yi-Rong and Huang, Teng and Gai, Yan-Bo and Zhang, Yang and Feng, Ya-Juan and Huang, Wei
      Scientific reports, 2015, 5, 0
      http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4668548/
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    64. Article: A First-Principles Study on Electron Donor and Acceptor Molecules Adsorbed on Phosphorene
      Zhang, Ruiqi and Li, Bin and Yang, Jinlong
      The Journal of Physical Chemistry C, 2015, 119, 2871--2878, 5
      http://pubs.acs.org/doi/abs/10.1021/jp5116564
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    65. Article: CO2 Capture on h-BN Sheet with High Selectivity Controlled by External Electric Field
      Guo, Hongyan and Zhang, Wenhua and Lu, Ning and Zhuo, Zhiwen and Zeng, Xiao Cheng and Wu, Xiaojun and Yang, Jinlong
      The Journal of Physical Chemistry C, 2015, 119, 6912--6917, 12
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    66. Article: Defects in Phosphorene
      Wei Hu and Jinlong Yang
      The Journal of Physical Chemistry C, 2015, 119, 20474-20480, 35
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    67. Article: Hydrogen Activation on the Promoted and Unpromoted ReS2 (001) Surfaces under the Sulfidation Conditions: A First-Principles Study
      Huang, Yucheng and Liu, Hai and Ling, Chongyi and Chen, Xi and Zhou, Danmei and Wang, Sufan
      The Journal of Physical Chemistry C, 2015, 119, 17092--17101, 30
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    68. Article: Tetrahedral Au17+: A Superatomic Molecule with a Au13 FCC Core
      Yan, Lijuan and Cheng, Longjiu and Yang, Jin-Long
      The Journal of Physical Chemistry C, 2015, 0, ACS Publications
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    69. Article: A Density Functional Study of the Nonlinear Optical Properties of Edge-Functionalized Nonplanar Nanographenes
      Dai, Yafei and Li, Zhenyu and Yang, Jinlong
      ChemPhysChem, 2015, 16, 2783--2788, 13
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    70. Article: First Principles Study on the Doping of SnSe2 Monolayer
      Huang, Yucheng and Zhou, Danmei and Chen, Xi and Liu, Hai and Wang, Chan and Wang, Sufan
      ChemPhysChem, 2015, 0
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    71. Article: Accurate theoretical prediction on positron lifetime of bulk materials
      Zhang, Wenshuai and Gu, Bingchuan and Liu, Jiandang and Ye, Bangjiao
      Computational Materials Science, 2015, 105, 32--38, 0
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    72. Article: First-principles study of two-dimensional van der Waals heterojunctions
      Wei Hu and Jinlong Yang
      Computational Materials Science, 2015, -, 0
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    73. Article: Numerical investigation of four-lid-driven cavity flow bifurcation using the multiple-relaxation-time lattice Boltzmann method
      Zhuo, Congshan and Zhong, Chengwen and Guo, Xixiong and Cao, Jun
      Computers & Fluids, 2015, 110, 136--151, 0
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    74. Article: Dynamic mode decomposition of forced spatially developed transitional jets
      Wan, Zhen-Hua and Zhou, Lin and Wang, Bo-Fu and Sun, De-Jun
      European Journal of Mechanics-B/Fluids, 2015, 51, 16--26, 0
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    75. Article: Multi-scale complexity analysis of muscle coactivation during gait in children with cerebral palsy
      Tao, Wen and Zhang, Xu and Chen, Xiang and Wu, De and Zhou, Ping
      Frontiers in human neuroscience, 2015, 9, 0
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    76. Article: Experimental and Subsequent Mechanism Research on the Steam Reforming of Ethanol Over a Ni/CeO2 Catalyst
      Wang, Shurong and Guo, Wenwen and Guo, Long and Li, Xinbao and Wang, Qi
      International Journal of Green Energy, 2015, 12, 694--701, 7, Taylor & Francis
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    77. Article: Investigation on addition and abstraction channels in Cl reactions with 1-butene and isobutene
      Chu, Genbai and Chen, Jun and Shui, Min and Xin, Jianting and Liu, Fuyi and Sheng, Liusi and Xu, Tao and Cao, Leifeng and Gu, Yuqiu
      International Journal of Mass Spectrometry, 2015, 375, 1--8, 0, Elsevier
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    78. Article: The Binding Mechanism of a Novel Nicotinamide Isostere Inhibiting with TNKSs: A Molecular Dynamic Simulation and binding free energy calculation
      Feng, Ting-Ting and Zhang, Yan-Jun and Chen, H. and Fan, Song and Han, Ju-Guang
      Journal of Biomolecular Structure & Dynamics, 2015, 1--30, 0
      http://www.tandfonline.com/doi/abs/10.1080/07391102.2015.1043580
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    79. Article: Insights into resistance mechanism of the macrolide biosensor protein MphR (A) binding to macrolide antibiotic erythromycin by molecular dynamics simulation
      Feng, Tingting and Zhang, Yanjun and Ding, Jing-Na and Fan, Song and Han, Ju-Guang
      Journal of Computer-Aided Molecular Design, 2015, 29, 1123--1136, 12
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    80. Article: Extinguishment of hydrogen laminar diffusion flames by water vapor in a cup burner apparatus
      Feng, Ming-Hui and Qin, Jun
      Journal of Loss Prevention in the Process Industries, 2015, 38, 260--267, 0
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    81. Article: Calculation of Bohmian quantum trajectories for STEM
      Zhang, M. and Ming, Y. and Zeng, R. G. and Ding, Z. J.
      Journal of microscopy, 2015, 0
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    82. Article: Dynamic process of H-controlled oxygen concentration in LBE: A first-principles study
      Li, Dongdong and Zhang, Y. G. and He, H. Y. and Liu, C. S. and Pan, B. C.
      Journal of Nuclear Materials, 2015, 0
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    83. Article: Hydration of the Sulfuric Acid-Oxalic Acid Complex: Acid Dissociation and Its Atmospheric Implication
      Miao, Shou-Kui and Jiang, Shuai and Chen, Jiao and Ma, Yan and Zhu, Yu-Peng and Wen, Yang and Zhang, Miao-Miao and Huang, Wei
      RSC Advances, 2015, 0
      http://pubs.rsc.org/en/content/articlehtml/2015/ra/c5ra06116d
      分区:3
    84. Article: On the properties and atmospheric implication of amine-hydrated clusters
      Chen, Jiao and Jiang, Shuai and Miao, Shou-Kui and Peng, Xiu-Qiu and Ma, Yan and Wang, Chun-Yu and Zhang, Miao-Miao and Liu, Yi-Rong and Huang, Wei
      RSC Advances, 2015, 5, 91500--91515, 111
      http://pubs.rsc.org/en/content/articlehtml/2015/ra/c5ra11462d
      分区:3
    85. Article: On the properties of Au 2 P 3 z (z=- 1, 0,+ 1): analysis of geometry, interaction, and electron density
      Xu, Kang-Ming and Jiang, Shuai and Zhu, Yu-Peng and Huang, Teng and Liu, Yi-Rong and Zhang, Yang and Lv, Yu-Zhou and Huang, Wei
      RSC Advances, 2015, 5, 26071--26080, 33
      http://pubs.rsc.org/en/content/articlehtml/2015/ra/c5ra00131e
      分区:3
    86. Article: SnS 2 nanotubes: a promising candidate for the anode material for lithium ion batteries
      Huang, Yucheng and Ling, Chongyi and Chen, Xi and Zhou, Danmei and Wang, Sufan
      RSC Advances, 2015, 5, 32505--32510, 41
      http://pubs.rsc.org/en/content/articlehtml/2015/ra/c5ra01211b
      分区:3
    87. Article: Properties and Atmospheric Implication of Methylamine–Sulfuric Acid–Water Clusters
      Lv, Sha-Sha and Miao, Shou-Kui and Ma, Yan and Zhang, Miao-Miao and Wen, Yang and Wang, Chun-Yu and Zhu, Yu-Peng and Huang, Wei
      The Journal of Physical Chemistry A, 2015, 119, 8657--8666, 32
      http://pubs.acs.org/doi/abs/10.1021/acs.jpca.5b03325
      分区:3
    88. Article: Properties of Ammonium Ion–Water Clusters: Analyses of Structure Evolution, Noncovalent Interactions, and Temperature and Humidity Effects
      Pei, Shi-Tu and Jiang, Shuai and Liu, Yi-Rong and Huang, Teng and Xu, Kang-Ming and Wen, Hui and Zhu, Yu-Peng and Huang, Wei
      The Journal of Physical Chemistry A, 2015, 119, 3035--3047, 12
      http://pubs.acs.org/doi/abs/10.1021/jp512323k
      分区:3
    89. Article: Stability of Hydrated Methylamine: Structural Characteristics and H2N··· H–O Hydrogen Bonds
      Lv, Sha-Sha and Liu, Yi-Rong and Huang, Teng and Feng, Ya-Juan and Jiang, Shuai and Huang, Wei
      The Journal of Physical Chemistry A, 2015, 119, 3770--3779, 16
      http://pubs.acs.org/doi/abs/10.1021/acs.jpca.5b00616
      分区:3
    90. Article: Probing Structural Determinants of ATP-Binding Cassette Exporter Conformational Transition Using Coarse-Grained Molecular Dynamics
      Wang, Zi and Liao, Jie-Lou
      The Journal of Physical Chemistry B, 2015, 119, 1295--1301, 4, ACS Publications
      分区:3
    91. Article: QM/MM Investigation of ATP Hydrolysis in Aqueous Solution
      Wang, Cui and Huang, Wenting and Liao, Jie-Lou
      The Journal of Physical Chemistry B, 2015, 119, 3720--3726, 9, ACS Publications
      分区:3
    92. Article: Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
      Chen, Peng and Liu, Zheng and Wang, Xuejuan and Peng, Junhui and Sun, Qianqian and Li, Jianzhong and Wang, Mingxing and Niu, Liwen and Zhang, Zhiyong and Cai, Gang and others
      PloS one, 2015, 10, e0120304, 3, Public Library of Science
    93. Article: Determining structural ensembles of flexible multi-domain proteins using small-angle X-ray scattering and molecular dynamics simulations
      Zhang, Yonghui and Wen, Bin and Peng, Junhui and Zuo, Xiaobing and Gong, Qingguo and Zhang, Zhiyong
      Protein & cell, 2015, 6, 619, 8, Springer
    94. Article: Mechanistic study on the regioselectivity of Co-catalyzed hydroacylation of 1, 3-dienes
      Jiang, Yuan-Ye and Yu, Hai-Zhu and Shi, Jing
      Chinese Chemical Letters, 2015, 26, 58--62, 1
      http://www.sciencedirect.com/science/article/pii/S1001841714004446
      分区:4
    95. Article: Large eddy simulation of hydrogen/air scramjet combustion using tabulated thermo-chemistry approach
      Cao, Changmin and Ye, Taohong and Zhao, Majie
      Chinese Journal of Aeronautics, 2015, 0, Elsevier
      分区:4
    96. Article: First-Principles Study of Ca3Sc2Si3O12: Ce3+ Phosphors
      Ding, Wen and Wen, Jun and Cheng, Jun and Ning, Li-xin and Huang, Yu-cheng and Duan, Chang-kui and Yin, Min
      Chinese Journal of Chemical Physics, 2015, 28, 150--154, 2
      http://scitation.aip.org/content/cps/journal/cjcp/28/2/10.1063/1674-0068/28/cjcp1411190?TRACK=RSS
      分区:4
    97. Article: First-Principles Study of Field Emission from Zigzag Graphene Nanoribbons Terminated with Ether Groups
      Chen, Xin and Li, Bin
      Chinese Journal of Chemical Physics, 2015, 28, 573--578, 5
      http://scitation.aip.org/content/cps/journal/cjcp/28/5/10.1063/1674-0068/28/cjcp1505087?TRACK=RSS
      分区:4
    98. Article: First-Principles Study on Electronic and Optical Properties of Graphene-Like Boron Phosphide Sheets
      Wang, Shao-feng and Wu, Xiao-jun
      Chinese Journal of Chemical Physics, 2015, 28, 588--594, 5
      http://scitation.aip.org/content/cps/journal/cjcp/28/5/10.1063/1674-0068/28/cjcp1505100?TRACK=RSS
      分区:4
    99. Article: SP3-Hybridization Feature of Ag4 Superatom in Superatomic Molecules†
      Yan, Li-juan and Cheng, Long-jiu and Yang, Jin-long
      Chinese Journal of Chemical Physics, 2015, 28, 476--480, 4
      http://scitation.aip.org/content/cps/journal/cjcp/28/4/10.1063/1674-0068/28/cjcp1505105?TRACK=RSS
      分区:4
    100. Article: Exploring positron characteristics utilizing two new positron–electron correlation schemes based on multiple electronic structure calculation methods
      Zhang Wen-Shuai and Gu Bing-Chuan and Han Xiao-Xi and Liu Jian-Dang and Ye Bang-Jiao
      Chinese Physics B, 2015, 24, 107804, 10
      http://stacks.iop.org/1674-1056/24/i=10/a=107804
      分区:4
    101. Article: Monte Carlo study of the effective electron beam shape in scanning electron microscopic imaging
      Zhang, Peng and Mao, Shifeng and Ding, Zejun
      European Physical Journal-Applied Physics, 2015, 69, 30703, 0
      分区:4
    102. Article: Further validation of liquid metal MHD code for unstructured grid based on OpenFOAM
      Feng, Jingchao and Chen, Hongli and He, Qingyun and Ye, Minyou
      Fusion Engineering and Design, 2015, 100, 260--264, 0
      http://www.sciencedirect.com/science/article/pii/S0920379615300880
      分区:4
    103. Article: Numerical Investigation of magnetohydrodynamic flow through Sudden expansion pipes in Liquid Metal Blankets
      Feng, Jingchao and He, Qingyun and Chen, Hongli and Ye, Minyou
      Fusion Engineering and Design, 2015, 0
      http://www.sciencedirect.com/science/article/pii/S0920379615304063
      分区:4
    104. Article: HONPAS: A linear scaling open-source solution for large system simulations
      Qin, Xinming and Shang, Honghui and Xiang, Hongjun and Li, Zhenyu and Yang, Jinlong
      International Journal of Quantum Chemistry, 2015, 115, 647--655, 10
      http://onlinelibrary.wiley.com/doi/10.1002/qua.24837/full
      分区:4
    105. Article: Dissociative photoionization of ethyl acrylate: Theoretical and experimental insights
      Song, Yanlin and Chen, Jun and Ding, Mengmeng and Wei, Bin and Cao, Maoqi and Shan, Xiaobin and Zhao, Yujie and Huang, Chaoqun and Sheng, Liusi and Liu, Fuyi
      Journal of Molecular Structure, 2015, 1094, 83--90, 0
      http://www.sciencedirect.com/science/article/pii/S0022286015003270
      分区:4
    106. Article: Large eddy simulation of turbulent premixed combustion using tabulated detailed chemistry and presumed probability density function
      (叶桃红)
      Journal of Turbulence( Accepted), 2015, 0
      分区:4
    107. Article: Mechanism of Pd-catalyzed selective CH activation of aliphatic amines via four-membered-ring cyclometallation pathway
      Zhang, Qi and Yu, Haizhu and Fu, Yao
      Science China Chemistry, 2015, 1--7, 0
      http://link.springer.com/article/10.1007/s11426-015-5360-7
      分区:4
    108. Article: Redox potentials of trifluoromethyl-containing compounds
      Jiang, Yuanye and Yu, Haizhu and Fu, Yao and Liu, Lei
      Science China Chemistry, 2015, 58, 673--683, 4, Springer
      分区:4
    109. Article: Theoretical investigation of gold based model catalysts
      Zhang, Wenhua and Huang, Weixin and Yang, Jinlong
      Science China Chemistry, 2015, 58, 565--573, 4
      http://link.springer.com/article/10.1007/s11426-015-5337-6
      分区:4
    110. Article: Monte Carlo simulation of full energy spectrum of electrons emitted from silicon in Auger electron spectroscopy
      Cao, N. and Da, B. and Ming, Y. and Mao, S. F. and Goto, K. and Ding, Z. J.
      Surface and Interface Analysis, 2015, 47, 113--119, 1
      http://onlinelibrary.wiley.com/doi/10.1002/sia.5682/pdf
      分区:4
    111. Article: 基于数值原子轨道基组的第一性原理计算软件 ABACUS
      刘晓辉 and 陈默涵 and 李鹏飞 and 沈瑜 and 任新国 and 郭光灿 and 何力新
      物理学报, 2015, 64, 187104--187104, 18
      分区:4
    112. Article: Structural modeling of proteins by integrating small-angle x-ray scattering dataProject supported by the National Key Basic Research Program of China (Grant Nos. 2013CB910203 and 2011CB911104), the Na
      Yong-Hui, Zhang and Jun-Hui, Peng and Zhi-Yong, Zhang
      Chinese Physics B, 2015, 24, 126101, 12, IOP Publishing
    113. InCollection: An Investigation of Hybrid Tabu Search for the Traveling Salesman Problem
      Xu, Dan and Weise, Thomas and Wu, Yuezhong and Lässig, Jörg and Chiong, Raymond
      Chinese Physics B, 2015, 523--537, 0, Springer
      http://link.springer.com/chapter/10.1007/978-3-662-49014-3_47
    114. Article: Dissociative photoionization of b-pinene: an experimental and theoretical study
      Cao, Maoqi and Chen, Jun and Fang, Wenzheng and Li, Yuquan and Ge, Shaolin and Shan, Xiaobin and Liu, Fuyi and Zhao, Yujie and Wangd, Zhenya and Shenga, Liusi
      , 2015, 0
      https://www.impublications.com/subs/ejms/v20/E20_0419.pdf
    115. InCollection: Hybrid Ejection Chain Methods for the Traveling Salesman Problem
      Liu, Weichen and Weise, Thomas and Wu, Yuezhong and Chiong, Raymond
      , 2015, 268--282, 0, Springer
      http://link.springer.com/chapter/10.1007/978-3-662-49014-3_25
    116. InProceedings: Isotropic and Uniaxial Strain Induced Band Modulation of PbTe
      Wang, Xiaoguang and Sun, Yazhou and Peng, Liangming
      2015 International Conference on Materials, Environmental and Biological Engineering, 2015, 0, Atlantis Press
      http://www.atlantis-press.com/php/download_paper.php?id=17943
    117. InProceedings: Local search for the Traveling Salesman Problem: A comparative study
      Wu, Yuezhong and Weise, Thomas and Chiong, Raymond
      Cognitive Informatics & Cognitive Computing (ICCI* CC), 2015 IEEE 14th International Conference on, 2015, 213--220, 0, IEEE
      http://ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=7259388
    118. InProceedings: Optimized partial decoding in uplink network MIMO under constraint backhaul
      Wang, Shipeng and Chen, Li and Wei, Guo
      Wireless Communications and Networking Conference (WCNC), 2015 IEEE, 2015, 58--63, 0, IEEE
      http://ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=7127445
    119. InProceedings: Pilot sequences allocation in TDD massive MIMO systems
      Yan, Xiangyu and Yin, Huarui and Xia, Mengbing and Wei, Guo
      Wireless Communications and Networking Conference (WCNC), 2015 IEEE, 2015, 1488--1493, 0, IEEE
      http://ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=7127688
    120. Article: Ultrathin Spinel-Structured Nanosheets Rich in Oxygen Deficiencies for Enhanced Electrocatalytic Water Oxidation
      Bao, Jian and Zhang, Xiaodong and Fan, Bo and Zhang, Jiajia and Zhou, Min and Yang, Wenlong and Hu, Xin and Wang, Hui and Pan, Bicai and Xie, Yi
      Angewandte Chemie, 2015, 0
      http://onlinelibrary.wiley.com/doi/10.1002/ange.201502226/full
    121. Article: Single layer of MX3 (M= Ti, Zr; X= S, Se, Te): a new platform for nano-electronics and optics
      Jin, Yingdi and Li, Xingxing and Yang, Jinlong
      arXiv preprint arXiv:1502.05108, 2015, 0
      http://arxiv.org/abs/1502.05108
    122. Article: Multilayer C2N: Effect of Stacking Order and Number of Layers on Bandgap and Its Controlled Electronic Properties by External Electric Field
      Zhang, Ruiqi and Li, Bin and Yang, Jinlong
      arXiv preprint arXiv:1505.02584, 2015, 0
      http://arxiv.org/abs/1505.02584
    123. Article: Bilayer C2N Nanosheet: A Promising Metal-free Photocatalyst for Water Splitting
      Zhang, Ruiqi and Yang, Jinlong
      arXiv preprint arXiv:1505.02768, 2015, 0
      http://arxiv.org/abs/1505.02768
    124. Article: Negative Probability Sampling in Study of Reflection Surface Electron Spectroscopy Spectrum
      Da, Bo and Mao, Shifeng and Ding, ZheJun
      arXiv preprint arXiv:1505.06806, 2015, 0
      http://arxiv.org/abs/1505.06806
    125. Article: Is phosphorene with intrinsic defect still an ideal anode material?
      Zhang, Ruiqi and Wu, Xiaojun and Yang, Jinlong
      arXiv preprint arXiv:1509.01884, 2015, 0
      http://arxiv.org/abs/1509.01884
    126. Article: Experimental observation of edge states at the line junction of two oppositely biased bilayer graphene
      Li, J. and Wang, K. and McFaul, K. J. and Zern, Z. and Ren, Y. F. and Watanabe, K. and Taniguchi, T. and Qiao, Z. H. and Zhu, J.
      arXiv preprint arXiv:1509.03912, 2015, 0
      http://arxiv.org/abs/1509.03912
    127. Article: The role of geometry and topological defects in the 1D zero-line modes of graphene
      Bi, Xintao and Jung, Jeil and Qiao, Zhenhua
      arXiv preprint arXiv:1509.09003, 2015, 0
      http://arxiv.org/abs/1509.09003
    128. Article: Graphene/g-C2N bilayer: gap opening, enhanced visible light response and electrical field tuning band structure
      Guan, Zhaoyong and Li, Jia and Duan, Wenhui
      arXiv preprint arXiv:1510.09022, 2015, 0
      http://arxiv.org/abs/1510.09022
    129. Article: Robust diamond-like Fe-Si network in the zero-strain NaxFeSiO4 Cathode
      Ye, Z. and Zhao, X. and Li, S. D. and Wu, S. Q. and Wu, P. and Nguyen, M. C. and Guo, J. H. and Mi, J. X. and Gong, Z. L. and Zhu, Z. Z. and others
      arXiv preprint arXiv:1512.03368, 2015, 0
      http://arxiv.org/abs/1512.03368
    130. Article: Cloud-Brain: A Knowledge-Based Development System for End-User in Cloud Computing.
      Zhou, Rui and Wang, Guowei and Wang, Jinghan and Li, Jing
      International Journal of Hybrid Information Technology, 2015, 8, 3
    131. Article: A case study of typhoon-induced gravity waves and the orographic impacts related to Typhoon Mindulle (2004) over Taiwan
      Wu, JF and Xue, XH and Hoffmann, L and Dou, XK and Li, HM and Chen, TD
      Journal of Geophysical Research: Atmospheres, 2015, 0, Wiley Online Library
      分区:2
    132. Article: A robust carbon tolerant anode for solid oxide fuel cells
      Ling, Yihan and Wang, Zhenbin and Wang, Zhiquan and Peng, Ranran and Lin, Bin and Yu, Weili and Isimjan, Tayirjan T. and Lu, Yalin
      Science China Materials, 2015, 58, 204--212, 3
      http://link.springer.com/article/10.1007/s40843-015-0033-6
    133. Article: Large eddy simulation of unconfined turbulent swirling flow
      Zhang, HongDa and Han, Chao and Ye, TaoHong and Zhang, JiMin and Chen, YiLiang
      Science China Technological Sciences, 2015, 58, 1731--1744, 10
      http://link.springer.com/article/10.1007/s11431-015-5912-2
    134. Article: 一种稳健的固体氧化物燃料电池抗积碳阳极 (英文)
      凌意瀚 and 王振斌 and 汪志全 and 彭冉冉 and 林彬 and 于伟利 and 陆亚林
      化学进展, 2015, 3, 006, 0
      http://www.cnki.com.cn/Article/CJFDTotal-SCMA201503006.htm
    135. Article: 基于改进的MMC的稀疏拉格朗日模拟
      (叶桃红)
      推进技术(已接受), 2015, 0
    136. Article: 高雷诺数湍流横侧射流的大涡模拟
      (叶桃红)
      推进技术(已接受), 2015, 0

    2014年:114篇

    1. Article: Highly confined water: two-dimensional ice, amorphous ice, and clathrate hydrates
      Zhao, Wen-Hui and Wang, Lu and Bai, Jaeil and Yuan, Lan-Feng and Yang, Jinlong and Zeng, Xiao Cheng
      Accounts of Chemical Research, 2014, 47, 2505--2513, 8, ACS Publications
      分区:1
    2. Article: Enhanced Catalytic Activity toward O2 Reduction on Pt-Modified La1–x Sr x Co1–y Fe y O3- δ Cathode: A Combination Study of First-Principles Calculation and Experiment
      Yang, Wenqiang and Wang, Zhenbin and Wang, Zhiquan and Yang, Zhenghui and Xia, Changrong and Peng, Ranran and Wu, Xiaojun and Lu, Yalin
      ACS Applied Materials & Interfaces, 2014, 6, 21051--21059, 23
      http://pubs.acs.org/doi/abs/10.1021/am505900g
      分区:1
    3. Article: Origin of High Photocatalytic Properties in the Mixed-Phase TiO2: A First-Principles Theoretical Study
      Ju, Ming-Gang and Sun, Guangxu and Wang, Jiajun and Meng, Qiangqiang and Liang, WanZhen
      ACS Applied Materials & Interfaces, 2014, 6, 12885--12892, 15
      http://pubs.acs.org/doi/abs/10.1021/am502830m
      分区:1
    4. Article: Numerical analyses of the solubility trapping of CO 2 storage in geological formations
      Meng, Qingliang and Jiang, Xi
      Applied Energy, 2014, 130, 581--591, 0, Elsevier
      分区:1
    5. Article: Ferroelectric hexagonal and rhombic monolayer ice phases
      Zhao, Wen-Hui and Bai, Jaeil and Yuan, Lan-Feng and Yang, Jinlong and Zeng, Xiao Cheng
      Chemical Science, 2014, 5, 1757--1764, 5
      http://pubs.rsc.org/en/content/articlehtml/2014/sc/c3sc53368a
      分区:1
    6. Article: Enhanced photocatalytic mechanism for the hybrid gC 3 N 4/MoS 2 nanocomposite
      Wang, Jiajun and Guan, Zhaoyong and Huang, Jing and Li, Qunxiang and Yang, Jinlong
      Journal of Materials Chemistry A, 2014, 2, 7960--7966, 21
      http://pubs.rsc.org/en/content/articlehtml/2014/ta/c4ta00275j
      分区:1
    7. Article: First-principles study of O 2 reduction on BaZr 1- x Co x O 3 cathodes in protonic-solid oxide fuel cells
      Wang, Zhenbin and Yang, Wenqiang and Zhu, Zhuoying and Peng, Ranran and Wu, Xiaojun and Xia, Changrong and Lu, Yalin
      Journal of Materials Chemistry A, 2014, 2, 16707--16714, 39
      http://pubs.rsc.org/en/content/articlehtml/2014/ta/c4ta01652a
      分区:1
    8. Article: CrXTe 3 (X= Si, Ge) nanosheets: two dimensional intrinsic ferromagnetic semiconductors
      Li, Xingxing and Yang, Jinlong
      Journal of Materials Chemistry C, 2014, 2, 7071--7076, 34
      http://pubs.rsc.org/en/content/articlehtml/2014/tc/c4tc01193g
      分区:1
    9. Article: Carbon-tolerant solid oxide fuel cells using NiTiO 3 as an anode internal reforming layer
      Wang, Zhiquan and Wang, Zhenbin and Yang, Wenqiang and Peng, Ranran and Lu, Yalin
      Journal of Power Sources, 2014, 255, 404--409, 0, Elsevier
      分区:1
    10. Article: Highly efficient light-harvesting boradiazaindacene sensitizers for dye-sensitized solar cells featuring phenothiazine donor antenna
      Mao, Mao and Zhang, Xiao-Lin and Fang, Xia-Qin and Wu, Guo-Hua and Dai, Song-Yuan and Song, Qin-Hua and Zhang, Xian-Xi
      Journal of Power Sources, 2014, 268, 965--976, 0
      http://www.sciencedirect.com/science/article/pii/S037877531400771X
      分区:1
    11. Article: Half-Metallicity in MnPSe3 Exfoliated Nanosheet with Carrier Doping
      Li, Xingxing and Wu, Xiaojun and Yang, Jinlong
      Journal of the American Chemical Society, 2014, 136, 11065--11069, 31
      http://pubs.acs.org/doi/abs/10.1021/ja505097m
      分区:1
    12. Article: Mechanistic Study of Chemoselectivity in Ni-Catalyzed Coupling Reactions between Azoles and Aryl Carboxylates
      Lu, Qianqian and Yu, Haizhu and Fu, Yao
      Journal of the American Chemical Society, 2014, 136, 8252--8260, 23
      http://pubs.acs.org/doi/abs/10.1021/ja4127455
      分区:1
    13. Article: Obtaining Two-Dimensional Electron Gas in Free Space without Resorting to Electron Doping: An Electride Based Design
      Zhao, Songtao and Li, Zhenyu and Yang, Jinlong
      Journal of the American Chemical Society, 2014, 136, 13313--13318, 38
      http://pubs.acs.org/doi/abs/10.1021/ja5065125
      分区:1
    14. Article: Room-Temperature Half-Metallicity in La (Mn, Zn) AsO Alloy via Element Substitutions
      Li, Xingxing and Wu, Xiaojun and Yang, Jinlong
      Journal of the American Chemical Society, 2014, 136, 5664--5669, 15
      http://pubs.acs.org/doi/abs/10.1021/ja412317s
      分区:1
    15. Article: Fast colloidal synthesis of scalable Mo-rich hierarchical ultrathin MoSe 2- x nanosheets for high-performance hydrogen evolution
      Zhou, Xiaoli and Jiang, Jun and Ding, Tao and Zhang, Jiajia and Pan, Bicai and Zuo, Jian and Yang, Qing
      Nanoscale, 2014, 6, 11046--11051, 19
      http://pubs.rsc.org/en/content/articlehtml/2014/nr/c4nr02716g
      分区:1
    16. Article: High lithium anodic performance of highly nitrogen-doped porous carbon prepared from a metal-organic framework
      Zheng, Fangcai and Yang, Yang and Chen, Qianwang
      Nature Communications, 2014, 5, 0
      http://www.nature.com/ncomms/2014/141106/ncomms6261/full/ncomms6261.html?WT.ec_id=NCOMMS-20141111
      分区:1
    17. Article: Evidence of van Hove Singularities in Ordered Grain Boundaries of Graphene
      Ma, Chuanxu and Sun, Haifeng and Zhao, Yeliang and Li, Bin and Li, Qunxiang and Zhao, Aidi and Wang, Xiaoping and Luo, Yi and Yang, Jinlong and Wang, Bing and others
      Physical Review Letters, 2014, 112, 226802, 22, APS
      分区:1
    18. Article: Proposed Photosynthesis Method for Producing Hydrogen from Dissociated Water Molecules Using Incident Near-Infrared Light
      Li, Xingxing and Li, Zhenyu and Yang, Jinlong
      Physical Review Letters, 2014, 112, 018301, 1
      http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.112.018301
      分区:1
    19. Article: Mechanisms of Graphene Growth on Metal Surfaces: Theoretical Perspectives
      Wu, Ping and Zhang, Wenhua and Li, Zhenyu and Yang, Jinglong
      Small, 2014, 10, 2136--2150, 11
      http://onlinelibrary.wiley.com/doi/10.1002/smll.201303680/full
      分区:1
    20. Article: DNA conformational flexibility study using phosphate backbone neutralization model
      Xiao, Shiyan and Zhu, Hong and Wang, Lei and Liang, Haojun
      Soft Matter, 2014, 10, 1045--1055, 7
      http://pubs.rsc.org/en/content/articlehtml/2014/sm/c3sm52345d
      分区:1
    21. Article: Camel-back band-induced power factor enhancement of thermoelectric lead-tellurium from Boltzmann transport calculations
      Wang, X. G. and Wang, L. and Liu, J. and Peng, L. M.
      Applied Physics Letters, 2014, 104, 132106, 13
      http://scitation.aip.org/content/aip/journal/apl/104/13/10.1063/1.4870494
      分区:2
    22. Article: SiN-SiC nanofilm: A nano-functional ceramic with bipolar magnetic semiconducting character
      Zhang, Jiahui and Li, Xingxing and Yang, Jinlong
      Applied Physics Letters, 2014, 104, 172403, 17
      http://scitation.aip.org/content/aip/journal/apl/104/17/10.1063/1.4874335
      分区:2
    23. Article: Transition metal atom embedded graphene for capturing CO: A first-principles study
      Wang, Lei and Luo, Qiquan and Zhang, Wenhua and Yang, Jinlong
      International Journal of Hydrogen Energy, 2014, 39, 20190--20196, 35
      http://www.sciencedirect.com/science/article/pii/S0360319914028377
      分区:2
    24. Article: The wurtzite–rocksalt phase transition for a BexMgyZn 1- x- yO alloy: Be content vs Mg content
      Yong, D. Y. and He, H. Y. and Su, L. X. and Zhu, Y. and Tang, Z. K. and Pan, B. C.
      Journal of alloys and compounds, 2014, 608, 197--201, 0
      http://www.sciencedirect.com/science/article/pii/S0925838814009359
      分区:2
    25. Article: Hierarchical equations of motion for an impurity solver in dynamical mean-field theory
      Hou, Dong and Wang, Rulin and Zheng, Xiao and Tong, NingHua and Wei, JianHua and Yan, YiJing
      Physical Review B, 2014, 90, 045141, 4, APS
      分区:2
    26. Article: NNLO QCD corrections to Higgs pair production via vector boson fusion at hadron colliders
      Ling, Liu-Sheng and Zhang, Ren-You and Ma, Wen-Gan and Guo, Lei and Li, Wei-Hua and Li, Xiao-Zhou
      Physical Review D, 2014, 89, 073001, 7
      http://journals.aps.org/prd/abstract/10.1103/PhysRevD.89.073001
      分区:2
    27. Article: ELUCID—Exploring the Local Universe with the Reconstructed Initial Density Field. I. Hamiltonian Markov Chain Monte Carlo Method with Particle Mesh Dynamics
      Wang, Huiyuan and Mo, HJ and Yang, Xiaohu and Jing, YP and Lin, WP
      The Astrophysical Journal, 2014, 794, 94, 1, IOP Publishing
      分区:2
    28. Article: Assessment of mode-mixing and Herzberg-Teller effects on two-photon absorption and resonance hyper-Raman spectra from a time-dependent approach
      Ma, HuiLi and Zhao, Yi and Liang, WanZhen
      The Journal of chemical physics, 2014, 140, 094107, 9
      http://scitation.aip.org/content/aip/journal/jcp/140/9/10.1063/1.4867273
      分区:2
    29. Article: Boron-tuning transition temperature of vanadium dioxide from rutile to monoclinic phase
      Zhang, J. J. and He, H. Y. and Xie, Y. and Pan, B. C.
      The Journal of chemical physics, 2014, 141, 194707, 19
      http://scitation.aip.org/content/aip/journal/jcp/141/19/10.1063/1.4901514
      分区:2
    30. Article: Communication: Asymmetrical cation movements through G-quadruplex DNA
      Zhu, Hong and Xiao, Shiyan and Wang, Lei and Liang, Haojun
      The Journal of Chemical Physics, 2014, 141, 041103, 4
      http://scitation.aip.org/content/aip/journal/jcp/141/4/10.1063/1.4891218
      分区:2
    31. Article: Electronic structure and aromaticity of large-scale hexagonal graphene nanoflakes
      Hu, Wei and Lin, Lin and Yang, Chao and Yang, Jinlong
      The Journal of Chemical Physics, 2014, 141, -, 21
      http://scitation.aip.org/content/aip/journal/jcp/141/21/10.1063/1.4902806
      分区:2
    32. Article: Electronic structure and aromaticity of large-scale hexagonal graphene nanoflakes
      Hu, Wei and Lin, Lin and Yang, Chao and Yang, Jinlong
      The Journal of chemical physics, 2014, 141, 214704, 21
      http://scitation.aip.org/content/aip/journal/jcp/141/21/10.1063/1.4902806
      分区:2
    33. Article: Experimental and kinetic modeling study on methylcyclohexane pyrolysis and combustion
      Wang, Zhandong and Ye, Lili and Yuan, Wenhao and Zhang, Lidong and Wang, Yizun and Cheng, Zhanjun and Zhang, Feng and Qi, Fei
      Combustion and Flame, 2014, 161, 84--100, 1, Elsevier
      分区:2
    34. Article: Development of an analytical method and its quick algorithm to calculate the solar energy collected by a heliostat field in a year
      Huang, Weidong and Xu, Qian
      Energy Conversion and Management, 2014, 83, 110--118, 0
      http://www.sciencedirect.com/science/article/pii/S0196890414002660
      分区:2
    35. Article: Performance comparison of solar parabolic trough system with glass and film reflector
      Xu, Qian and Li, Longlong and Li, Huairui and Huang, Weidong and Li, Yongping
      Energy Conversion and Management, 2014, 85, 581--590, 0, Elsevier
      分区:2
    36. Article: Study of Cl-(H2O) n (n= 1--4) using basin-hopping method coupled with density functional theory
      Jiang, Shuai and Liu, Yi-Rong and Huang, Teng and Wen, Hui and Xu, Kang-Ming and Zhao, Wei-Xiong and Zhang, Wei-Jun and Huang, Wei
      Journal of computational chemistry, 2014, 35, 159--165, 2, Wiley Online Library
      分区:2
    37. Article: 2, 6-Conjugated Bodipy sensitizers for high-performance dye-sensitized solar cells
      Mao, Mao and Zhang, Xiao-Lin and Fang, Xia-Qin and Wu, Gua-Hua and Ding, Yong and Liu, Xiu-Lin and Dai, Song-Yuan and Song, Qin-Hua
      Organic Electronics, 2014, 15, 2079--2090, 9
      http://www.sciencedirect.com/science/article/pii/S1566119914002031
      分区:2
    38. Article: Theoretical Study on Homogeneous Hydrogen Activation Catalyzed by Cationic Ag (I) Complex
      Jiang, Yuan-Ye and Yu, Hai-Zhu and Fu, Yao
      Organometallics, 2014, 33, 6577--6584, 22
      http://pubs.acs.org/doi/abs/10.1021/om500921d
      分区:2
    39. Article: A first-principles study of gas adsorption on germanene
      Xia, Wenqi and Hu, Wei and Li, Zhenyu and Yang, Jinlong
      Physical Chemistry Chemical Physics, 2014, 16, 22495--22498, 41
      http://pubs.rsc.org/en/content/articlehtml/2014/cp/c4cp03292f
      分区:2
    40. Article: An atomistic insight into the corrosion of the oxide film in liquid lead–bismuth eutectic
      Li, Dongdong and Song, Chi and He, H. Y. and Liu, C. S. and Pan, B. C.
      Physical Chemistry Chemical Physics, 2014, 16, 7417--7422, 16
      http://pubs.rsc.org/en/content/articlehtml/2014/cp/c3cp54377c
      分区:2
    41. Article: Different aggregation dynamics of benzene–water mixtures
      Fu, Cen-Feng and Tian, Shan Xi
      Physical Chemistry Chemical Physics, 2014, 16, 21957--21963, 40
      http://pubs.rsc.org/en/content/articlepdf/2014/cp/c4cp01537a
      分区:2
    42. Article: Enhancing the efficiency of lithium intercalation in carbon nanotube bundles using surface functional groups
      Xiao, Shiyan and Zhu, Hong and Wang, Lei and Chen, Liping and Liang, Haojun
      Physical Chemistry Chemical Physics, 2014, 16, 16003--16012, 30
      http://pubs.rsc.org/en/content/articlehtml/2014/cp/c4cp01990c
      分区:2
    43. Article: Silicene as a highly sensitive molecule sensor for NH 3, NO and NO 2
      Hu, Wei and Xia, Nan and Wu, Xiaojun and Li, Zhenyu and Yang, Jinlong
      Physical Chemistry Chemical Physics, 2014, 16, 6957--6962, 15
      http://pubs.rsc.org/en/content/articlehtml/2014/cp/c3cp55250k
      分区:2
    44. Article: Strain-induced phase transition of a C 58 solid
      Yang, L. and He, H. Y. and Hu, J. and Pan, B. C.
      Physical Chemistry Chemical Physics, 2014, 16, 25176--25181, 45
      http://pubs.rsc.org/en/content/articlehtml/2014/cp/c4cp03426k
      分区:2
    45. Article: Theoretical study of temperature dependence and Rayleigh scattering properties of chloride hydration clusters
      Jiang, Shuai and Huang, Teng and Liu, Yi-Rong and Xu, Kang-Ming and Zhang, Yang and Lv, Yu-Zhou and Huang, Wei
      Physical Chemistry Chemical Physics, 2014, 16, 19241--19249, 36
      http://pubs.rsc.org/en/content/articlehtml/2014/cp/c4cp02618g
      分区:2
    46. Article: Identifying isomers of carbon-dioxide clusters by laser-driven Coulomb explosion
      Xie, Xiguo and Wu, Cong and Liu, Yirong and Huang, Wei and Deng, Yongkai and Liu, Yunquan and Gong, Qihuang and Wu, Chengyin
      Physical Review A, 2014, 90, 033411, 3, APS
      分区:2
    47. Article: A theoretical study of single-atom catalysis of CO oxidation using Au embedded 2D h-BN monolayer: a CO-promoted O2 activation
      Mao, Keke and Li, Lei and Zhang, Wenhua and Pei, Yong and Zeng, Xiao Cheng and Wu, Xiaojun and Yang, Jinlong
      Scientific reports, 2014, 4, 0
      http://www.nature.com/srep/2014/140625/srep05441/full/srep05441.html?message-global=remove
      分区:2
    48. Article: Complete mineralization of perfluorooctanoic acid (PFOA) by [ggr]-irradiation in aqueous solution
      Zhang, Ze and Chen, Jie-Jie and Lyu, Xian-Jin and Yin, Hao and Sheng, Guo-Ping
      Scientific reports, 2014, 4, 0, Nature Publishing Group
      分区:2
    49. Article: Experimental and theoretical approaches for the surface interaction between copper and activated sludge microorganisms at molecular scale
      Luo, Hong-Wei and Chen, Jie-Jie and Sheng, Guo-Ping and Su, Ji-Hu and Wei, Shi-Qiang and Yu, Han-Qing
      Scientific reports, 2014, 4, 0, Nature Publishing Group
      分区:2
    50. Article: Experimental and Theoretical Demonstrations for the Mechanism behind Enhanced Microbial Electron Transfer by CNT Network
      Liu, Xian-Wei and Chen, Jie-Jie and Huang, Yu-Xi and Sun, Xue-Fei and Sheng, Guo-Ping and Li, Dao-Bo and Xiong, Lu and Zhang, Yuan-Yuan and Zhao, Feng and Yu, Han-Qing
      Scientific reports, 2014, 4, 0, Nature Publishing Group
      分区:2
    51. Article: Optical performance of an azimuth tracking linear Fresnel solar concentrator
      Huang, Farong and Li, Longlong and Huang, Weidong
      Solar Energy, 2014, 108, 1--12, 0
      http://www.sciencedirect.com/science/article/pii/S0038092X14003272
      分区:2
    52. Article: Bilayer graphene growth via a penetration mechanism
      Wu, Ping and Zhai, Xiaofang and Li, Zhenyu and Yang, Jinlong
      The Journal of Physical Chemistry C, 2014, 118, 6201--6206, 12
      http://pubs.acs.org/doi/abs/10.1021/jp4108156
      分区:2
    53. Article: Density functional study of nonlinear optical properties of grossly warped nanographene C80H30
      Dai, Yafei and Li, Zhenyu and Yang, Jinlong
      The Journal of Physical Chemistry C, 2014, 118, 3313--3318, 6
      http://pubs.acs.org/doi/abs/10.1021/jp409899n
      分区:2
    54. Article: High-Pressure Raman Study of [2.2] Paracyclophane
      Li, Wei and Sui, Zhilei and Liu, Huarong and Zhang, Zengming and Liu, Hewen
      The Journal of Physical Chemistry C, 2014, 118, 16028--16034, 29
      http://pubs.acs.org/doi/abs/10.1021/jp504390u
      分区:2
    55. Article: High-Pressure Raman Study of [2.2]Paracyclophane
      Wei Li and Zhilei Sui and Huarong Liu and Zengming Zhang and Hewen Liu
      The Journal of Physical Chemistry C, 2014, 118, 16028-16034, 29
      http://dx.doi.org/10.1021/jp504390u
      分区:2
    56. Article: Metal-Free Magnetism and Half-Metallicity of Carbon Nitride Nanotubes: A First-Principles Study
      Guan, Zhaoyong and Wang, Jiajun and Huang, Jing and Wu, Xiaojun and Li, Qunxiang and Yang, Jinlong
      The Journal of Physical Chemistry C, 2014, 118, 22491--22498, 39, ACS Publications
      分区:2
    57. Article: Methanol-selective oxidation pathways on Au surfaces: a first-principles study
      Wang, Lei and He, Chaozheng and Zhang, Wenhua and Li, Zhenyu and Yang, Jinlong
      The Journal of Physical Chemistry C, 2014, 118, 17511--17520, 31
      http://pubs.acs.org/doi/abs/10.1021/jp501620h
      分区:2
    58. Article: Study of Phase Stability and Hydride Diffusion Mechanism of BaTiO3 Oxyhydride from First-Principles
      Zhang, Jiajia and Gou, Gaoyang and Pan, Bicai
      The Journal of Physical Chemistry C, 2014, 118, 17254--17259, 31
      http://pubs.acs.org/doi/abs/10.1021/jp5030334
      分区:2
    59. Article: Porous boron nitride with tunable pore size
      Dai, Jun and Wu, Xiaojun and Yang, Jinlong and Zeng, Xiao Cheng
      The Journal of Physical Chemistry Letters, 2014, 5, 393--398, 2, ACS Publications
      分区:2
    60. Article: Interplay of the doped Ge atoms and the N vacancies with the negative thermal expansion of M3 (Cu1- x Ge x) N1- y
      Qu, B. Y. and He, H. Y. and Pan, B. C.
      Applied Physics A, 2014, 114, 785--791, 3
      http://link.springer.com/article/10.1007/s00339-013-7650-2
      分区:3
    61. Article: Redox reaction characteristics of riboflavin: A fluorescence spectroelectrochemical analysis and density functional theory calculation
      Chen, Wei and Chen, Jie-Jie and Lu, Rui and Qian, Chen and Li, Wen-Wei and Yu, Han-Qing
      Bioelectrochemistry, 2014, 98, 103--108, 0
      http://www.sciencedirect.com/science/article/pii/S1567539414000620
      分区:3
    62. Article: The influence of N-doped carbon materials on supported Pd: enhanced hydrogen storage and oxygen reduction performance
      Kong, Xiang-Kai and Chen, Qian-Wang and Lun, Zheng-Yan
      ChemPhysChem, 2014, 15, 344--350, 2
      http://onlinelibrary.wiley.com/doi/10.1002/cphc.201300907/full
      分区:3
    63. Article: A Monte Carlo study of reflection electron energy loss spectroscopy spectrum of a carbon contaminated surface
      Da, B. and Li, Z. Y. and Chang, H. C. and Mao, S. F. and Ding, Z. J.
      Journal of Applied Physics, 2014, 116, 124307, 12
      http://scitation.aip.org/content/aip/journal/jap/116/12/10.1063/1.4896526
      分区:3
    64. Article: Band-gap engineering in fluorographene nanoribbons under uniaxial strain
      Zhang, Yan and Li, Qunxiang
      Journal of Applied Physics, 2014, 115, 044305, 4
      http://scitation.aip.org/content/aip/journal/jap/115/4/10.1063/1.4863335
      分区:3
    65. Article: Structure of Cu64. 5Zr35. 5 metallic glass by reverse Monte Carlo simulations
      Fang, Xikui W and Huang, Li and Wang, Cai-Zhuang and Ho, Kai-Ming and Ding, ZJ
      Journal of Applied Physics, 2014, 115, 053522, 5, AIP Publishing
      分区:3
    66. Article: Insight into the binding modes and inhibition mechanisms of adamantyl-based 1, 3-disubstituted urea inhibitors in the active site of the human soluble epoxide hydrolase
      Chen, Hang and Zhang, Ying and Ye, Chun and Feng, Ting T. and Han, Ju G.
      Journal of Biomolecular Structure & Dynamics, 2014, 32, 1231--1247, 8
      http://www.tandfonline.com/doi/abs/10.1080/07391102.2013.812981
      分区:3
    67. Article: Study of photoionization and dissociative photoionization of carbon monoxide from ionization threshold to 38eV by using synchrotron radiation
      Zhao, Yujie and Cao, Maoqi and Li, Yuquan and Shan, Xiaobin and Liu, Fuyi and Sheng, Liusi and Li, Li and Liu, Wanfang
      Journal of Electron Spectroscopy and Related Phenomena, 2014, 196, 181--186, 0, Elsevier
      分区:3
    68. Article: Formation of hexagonal pattern of ferrofluid in magnetic field
      Cao, Yuan and Ding, Z. J.
      Journal of Magnetism and Magnetic Materials, 2014, 355, 93--99, 0
      http://www.sciencedirect.com/science/article/pii/S0304885313008809
      分区:3
    69. Article: First principles study of fluorine substitution on two-dimensional germanane
      Hu, Lin and Zhao, Jin and Yang, Jinlong
      Journal of Physics: Condensed Matter, 2014, 26, 335302, 33
      http://iopscience.iop.org/0953-8984/26/33/335302
      分区:3
    70. Article: Optical properties of nickel derived from reflection electron energy loss spectra
      Bereczky, RJ and T{'o}th, J and Da, B and Mao, SF and Ding, ZJ and T{"o}k{'e}si, K
      Journal of Physics: Conference Series, 2014, 488, 132007, 13, IOP Publishing
      分区:3
    71. Article: Characterization of oxygen impurity in silicon nitride storage layer: A first-principles investigation
      Luo, Jing and Lu, Jinlong and Zhao, Hongpeng and Dai, Yuehua and Liu, Qi and Yang, Jin and Jiang, Xianwei and Xu, Huifang
      Physica Status Solidi B, 2014, 251, 1212--1218, 6
      http://onlinelibrary.wiley.com/doi/10.1002/pssb.201350058/full
      分区:3
    72. Article: Interaction of H with stacking fault in W (111) film: A possible formation mechanism of H bubbles
      Ding, W. Y. and He, H. Y. and Pan, B. C.
      RSC Advances, 2014, 4, 7030--7034, 14
      http://pubs.rsc.org/en/content/articlehtml/2014/ra/c3ra45099f
      分区:3
    73. Article: Probing the 2D-to-3D structural transition in gold clusters with a single sulfur atom: Au x S 0,$pm$1 (x= 1--10)
      Wen, Hui and Liu, Yi-Rong and Xu, Kang-Ming and Huang, Teng and Hu, Chang-Jin and Zhang, Wei-Jun and Huang, Wei
      RSC Advances, 2014, 4, 15066--15076, 29, Royal Society of Chemistry
      分区:3
    74. Article: Theoretical studies of the hydration reactions of stabilized Criegee intermediates from the ozonolysis of β-pinene
      Lin, Xiao-Xiao and Liu, Yi-Rong and Huang, Teng and Xu, Kang-Ming and Zhang, Yang and Jiang, Shuai and Gai, Yan-Bo and Zhang, Wei-Jun and Huang, Wei
      RSC Advances, 2014, 4, 28490--28498, 54
      http://pubs.rsc.org/en/content/articlehtml/2014/ra/c4ra04172k
      分区:3
    75. Article: Efficient Method for Fast Simulation of Scanning Tunneling Microscopy with a Tip Effect
      Zhang, Ruiqi and Hu, Zhenpeng and Li, Bin and Yang, Jinlong
      The Journal of Physical Chemistry A, 2014, 118, 8953--8959, 39
      http://pubs.acs.org/doi/abs/10.1021/jp5018218
      分区:3
    76. Article: Structural Exploration of Water, Nitrate/Water, and Oxalate/Water Clusters with Basin-Hopping Method Using a Compressed Sampling Technique
      Liu, Yi-Rong and Wen, Hui and Huang, Teng and Lin, Xiao-Xiao and Gai, Yan-Bo and Hu, Chang-Jin and Zhang, Wei-Jun and Huang, Wei
      The Journal of Physical Chemistry A, 2014, 118, 508--516, 2
      http://pubs.acs.org/doi/abs/10.1021/jp4109128
      分区:3
    77. Article: Theoretical Study of the Hydration of Atmospheric Nucleation Precursors with Acetic Acid
      Zhu, Yu-Peng and Liu, Yi-Rong and Huang, Teng and Jiang, Shuai and Xu, Kang-Ming and Wen, Hui and Zhang, Wei-Jun and Huang, Wei
      The Journal of Physical Chemistry A, 2014, 118, 7959--7974, 36
      http://pubs.acs.org/doi/abs/10.1021/jp506226z
      分区:3
    78. Article: Magnesium-dependent RNA binding to the PA endonuclease domain of the avian influenza polymerase
      Xiao, Shiyan and Klein, Michael L and LeBard, David N and Levine, Benjamin G and Liang, Haojun and MacDermaid, Christopher M and Alfonso-Prieto, Mercedes
      The Journal of Physical Chemistry B, 2014, 118, 873--889, 4, ACS Publications
      分区:3
    79. Article: Transition between direct gap and indirect gap in two dimensional hydrogenated honeycomb Si x Ge1- x alloys
      Xia, Nan and Yuan, Lan-Feng and Yang, Jinlong
      Theoretical Chemistry Accounts, 2014, 133, 1--5, 10, Springer
      分区:3
    80. Article: Density Functional theory investigations on the geometrical and electronic properties and growth patterns of Si n (n= 10–20) clusters with bimetal Pd 2 impurities
      Zhao, Run-Ning and Han, Ju-Guang and Duan, Yuhua
      Thin Solid Films, 2014, 556, 571--579, 0
      http://www.sciencedirect.com/science/article/pii/S0040609014001540
      分区:3
    81. Article: Theoretical Study on the Mechanism of the Imine-induced Tetrapeptides Cyclization
      Yan, Tian and Yao, Fu and Qi, Zhang and Haizhu, Yu and Jing, Shi
      Acta Chimica Sinica, 2014, 72, 935--941, 8, SCIENCE PRESS 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA
      分区:4
    82. Article: Rh (I)-catalyzed borylation of primary alkyl chlorides
      Gong, Tian-Jun and Jiang, Yuan-Ye and Fu, Yao
      Chinese Chemical Letters, 2014, 25, 397--400, 3
      http://www.sciencedirect.com/science/article/pii/S1001841714000072
      分区:4
    83. Article: Electron Momentum Spectroscopy of Valence Orbitals of n-Propyl Iodide: Spin-Orbit Coupling Effect and Intramolecular Orbital Interaction
      Wang, En-liang and Shi, Yu-feng and Shan, Xu and Yang, Hong-jiang and Zhang, Wei and Chen, Xiang-jun
      Chinese Journal of Chemical Physics, 2014, 27, 503--511, 5
      http://scitation.aip.org/content/cps/journal/cjcp/27/5/10.1063/1674-0068/27/05/503-511?TRACK=RSS
      分区:4
    84. Article: New hexagonal-rhombic trilayer ice structure confined between hydrophobic plates
      Jia, Min and Zhao, Wen-hui and Yuan, Lan-feng
      Chinese Journal of Chemical Physics, 2014, 27, 15--19, 1
      http://scitation.aip.org/content/cps/journal/cjcp/27/1/10.1063/1674-0068/27/01/15-19
      分区:4
    85. Article: Theoretical Investigations on Graphite Oxide Immersed in Water or Methanol
      Geng, Wan-wan and Zhao, Wen-hui and Yuan, Lan-feng
      Chinese Journal of Chemical Physics, 2014, 27, 9--14, 1
      http://scitation.aip.org/content/cps/journal/cjcp/27/1/10.1063/1674-0068/27/01/9-14
      分区:4
    86. Article: Uniform BCN Ternary Monolayer from Non-Metal Filled g-C3N4 Sheet
      Zhang, Na and Wu, Xiao-jun
      Chinese Journal of Chemical Physics, 2014, 27, 394--398, 4
      http://scitation.aip.org/content/cps/journal/cjcp/27/4/10.1063/1674-0068/27/04/394-398
      分区:4
    87. Article: A 1, 2, 3, 4-Tetrahydrofullerene Derivative Generated from a [60] Fulleroindoline: Regioselective Electrosynthesis and Computational Study
      Xiao, Yang and Wang, Guanwu
      Chinese Journal of Chemistry, 2014, 32, 699--702, 8
      http://onlinelibrary.wiley.com/doi/10.1002/cjoc.201400205/abstract
      分区:4
    88. Article: Accurate Prediction of Ir H Bond Dissociation Enthalpies by Density Functional Theory Methods
      Zhou, Yi and Liu, Dingjia and Fu, Yao and Yu, Haizhu and Shi, Jing
      Chinese Journal of Chemistry, 2014, 32, 269--275, 3, Wiley Online Library
      分区:4
    89. Article: Theoretical study on mechanism of reactions of triarylphosphines with S-nitrosated proteins
      Wang, Chen and Qi, Chenze
      Computational and Theoretical Chemistry, 2014, 1027, 11--18, 0
      http://www.sciencedirect.com/science/article/pii/S2210271X13004593
      分区:4
    90. Article: Dissociative photoionization of β-pinene: An experimental and theoretical study
      Liusi Sheng and Maoqi Cao and Jun Chen and Wenzhen Fang and Yuquan Li and Shaolin Ge and Xiaobin Shan and Fuyi Liu and Yujie Zhao and Zhenya Wang Zhenya Wang
      European Journal of Mass Spectrometry, 2014, 20, 419-428, 6
      http://dx.doi.org/10.1255/ejms.1304
      分区:4
    91. Article: The hydrogenation-dependent thermal expansion properties of hydrogenated graphene
      He, Haiyan and Pan, Bicai and others
      European Physical Journal B, 2014, 87, 1--6, 2
      http://www.researchgate.net/profile/H_He2/publication/261015258_The_hydrogenation-dependent_thermal_expansion_properties_of_hydrogenated_graphene/links/546d4bff0cf2a7492c55b51b.pdf
      分区:4
    92. Article: Investigation on the mechanism for the binding and drug resistance of wild type and mutations of G86 residue in HIV-1 protease complexed with Darunavir by molecular dynamic simulation and free energy
      Li, Dan and Zhang, Ying and Zhao, Run-Ning and Fan, Song and Han, Ju-Guang
      Journal of molecular modeling, 2014, 20, 1--11, 2
      http://link.springer.com/article/10.1007/s00894-014-2122-y
      分区:4
    93. Article: Thermodynamic and conformational insights into the phase transition of a single flexible homopolymer chain using replica exchange Monte Carlo method
      Wang, Lei and Li, Ningning and Xiao, Shiyan and Liang, Haojun
      Journal of molecular modeling, 2014, 20, 1--10, 7, Springer
      分区:4
    94. Article: Experimental and theoretical study on the dissociative photoionization of trans-2-methyl-2-butenal
      Li, Yuquan and Cao, Maoqi and Chen, Jun and Song, Yanlin and Shan, Xiaobin and Zhao, Yujie and Liu, Fuyi and Wang, Zhenya and Sheng, Liusi
      Journal of Molecular Structure, 2014, 1068, 130--139, 0
      http://www.sciencedirect.com/science/article/pii/S0022286014002890
      分区:4
    95. Article: Possible effects of the large extra dimensions on ZZW production at the LHC
      Chen, Chong and Guo, Lei and Ma, Wen-Gan and Zhang, Ren-You and Li, Xiao-Zhou and Zhang, Yu
      Modern Physics Letters A, 2014, 29, 1450153, 31
      http://www.worldscientific.com/doi/abs/10.1142/S0217732314501533
      分区:4
    96. Article: Strain-dependent diffusion behavior of H within tungsten
      Ding, Wenyi and He, Haiyan and Liu, Changsong and Ding, Rui and Chen, Junling and Pan, Bicai
      Physica B: Condensed Matter, 2014, 443, 76--79, 0
      http://www.sciencedirect.com/science/article/pii/S0921452614001811
      分区:4
    97. Article: A study on large coherent structures and noise emission in a turbulent round jet
      Wan, ZhenHua and Zhou, Lin and Sun, DeJun
      Science China Physics, Mechanics & Astronomy, 2014, 57, 1552--1562, 8, Springer
      分区:4
    98. Article: Quantification of surface roughness effect on elastically backscattered electrons
      Ding, X. and Da, B. and Gong, J. B. and Mao, S. F. and Li, H. M. and Ding, Z. J.
      Surface and Interface Analysis, 2014, 46, 489--496, 7
      http://onlinelibrary.wiley.com/doi/10.1002/sia.5554/full
      分区:4
    99. Article: Simulation study of the atomic resolution secondary electron imaging
      Ruan, Z and Zhang, M and Zeng, RG and Ming, Y and Da, B and Mao, SF and Ding, ZJ
      Surface and Interface Analysis, 2014, 46, 1296--1300, 12, Wiley Online Library
      分区:4
    100. Article: Multiple-relaxation-time lattice Boltzmann method for study of two-lid-driven cavity flow solution multiplicity
      Guo, Xixiong and Zhong, Chengwen and Zhuo, Congshan and Cao, Jun
      Theoretical and Computational Fluid Dynamics, 2014, 28, 215--231, 2
      http://link.springer.com/article/10.1007/s00162-013-0312-3
      分区:4
    101. Article: 高分子纳米复合材料拉伸及压缩的分子动力学模拟
      李宁宁 and 王雷 and 刘源 and 梁好均
      高分子学报, 2014, 1292--1300, 9
      分区:4
    102. InProceedings: Comparing a hybrid branch and bound algorithm with evolutionary computation methods, local search and their hybrids on the TSP
      Jiang, Yan and Weise, Thomas and Lassig, Jorg and Chiong, Raymond and Athauda, Rukshan
      Computational Intelligence in Production and Logistics Systems (CIPLS), 2014 IEEE Symposium on, 2014, 148--155, 0, IEEE
      http://ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=7007174
    103. Article: Degree-layer theory of network topology
      Zhou, Bin and Wang, Bing-Hong and Zhe, He
      arXiv preprint arXiv:1409.5298, 2014, 0
      http://arxiv.org/abs/1409.5298
    104. Article: First-principles Study of the Interactions of Electron Donor and Acceptor Molecules with Phosphorene
      Zhang, Ruiqi and Li, Bin and Yang, Jinlong
      arXiv preprint arXiv:1409.7190, 2014, 0
      http://arxiv.org/abs/1409.7190
    105. Article: First-Principles Study of Hybrid Graphene and MoS $ \_2 $ Nanocomposites
      Hu, Wei and Wang, Tian and Yang, Jinlong
      arXiv preprint arXiv:1411.0357, 2014, 0
      http://arxiv.org/abs/1411.0357
    106. Article: Monte Carlo Study of the Influence of Electron Beam Focusing to SEM Image Sharpness Measurement
      Ruan, Z and Zhang, P and Mao, SF and Li, HM and Ding, ZJ
      e-Journal of Surface Science and Nanotechnology, 2014, 12, 247--251, 0, The Surface Science Society of Japan
    107. Article: An Arbitrary Polynomial Chaos-Based Approach to Analyzing the Impacts of Design Parameters on Evacuation Time under Uncertainty
      Xie, Qimiao and Lu, SHOUXIANG and Cóstola, DANIEL and Hensen, J.
      Fire Safety Science, 2014, 11, 108--108, 0
      http://www.iafss.org/publications/fss/11/108
    108. Article: RUNES II: A Distributed Rule Engine Based on Rete Network in Cloud Computing
      Zhou, Rui and Wang, Guowei and Wang, Jinghan and Li, Jing
      International Journal of Grid and Distributed Computing, 2014, 7, 91--110, 6, 보안공학연구지원센터 (IJGDC)
    109. Article: Study on H+3 formation by synchrotron radiation
      Zhanga, Qiang and Caoa, Maoqi and Shana, Xiaobin and Lia, Yuquan and Wangb, Zhenya and Shenga, Liusi
      J. At. Mol. Sci., 2014, 5, 148, 2
    110. Article: Customized Interface Generation Model Based on Knowledge and Template for Web Service
      Zhou, Rui and Wang, Jinghan and Wang, Guowei and Li, Jing
      Journal of Networks, 2014, 9, 3478--3485, 12
      http://www.ojs.academypublisher.com/index.php/jnw/article/view/jnw091234783485
    111. Article: A Distributed Rule Engine Based on Message-Passing Model to Deal with Big Data
      Wang, Jinghan and Zhou, Rui and Li, Jing and Wang, Guowei
      Lecture Notes on Software Engineering, 2014, 2, 275--281, 3, IACSIT Press
    112. Article: NHC-catalyzed homoenolate reaction of enals and nitroalkenes: computational study of mechanism, chemoselectivity and stereoselectivity
      Zhang, Qi and Yu, Hai-Zhu and Fu, Yao
      Organic Chemistry Frontiers, 2014, 1, 614--624, 6
      http://pubs.rsc.org/en/content/articlepdf/2014/qo/c4qo00036f
    113. Article: Extended Mermin Method for Calculating the Electron Inelastic Mean Free Path
      Da, B and Shinotsuka, H and Yoshikawa, H and Ding, ZJ and Tanuma, S
      Physical Review Letters, 2014, 08, 0
      分区:1
    114. Article: 氢分子团簇的实验和理论研究进展
      张强 and 曹茂启 and 李玉全 and 单晓斌 and 刘付轶 and 盛六四 and 王振亚
      量子电子学报, 2014, 31, 513--519, 5

    2013年:123篇

    1. Article: Superatom Networks in Thiolate-Protected Gold Nanoparticles
      Cheng, Longjiu and Yuan, Yuan and Zhang, Xiuzhen and Yang, Jinlong
      Angewandte Chemie International Edition, 2013, 52, 9035--9039, 34, Wiley Online Library
      分区:1
    2. Article: Constraints of the topography, gravity and volcanism on Venusian mantle dynamics and generation of plate tectonics
      Huang, Jinshui and Yang, An and Zhong, Shijie
      Earth and Planetary Science Letters, 2013, 362, 207--214, 0, Elsevier
      分区:1
    3. Article: Metal-free catalytic reduction of 4-nitrophenol to 4-aminophenol by N-doped graphene
      Kong, Xiang-kai and Sun, Zhi-yuan and Chen, Min and Chen, Qian-wang and others
      Energy & Environmental Science, 2013, 6, 3260--3266, 11
      http://pubs.rsc.org/en/content/articlehtml/2013/ee/c3ee40918j
      分区:1
    4. Article: Structure sensitivity of low-temperature NO decomposition on Au surfaces
      Wu, Zongfang and Xu, Lingshun and Zhang, Wenhua and Ma, Yunsheng and Yuan, Qing and Jin, Yuekang and Yang, Jinlong and Huang, Weixin
      Journal of Catalysis, 2013, 304, 112--122, 0, Elsevier
      分区:1
    5. Article: Oxygen reduction and transport on the La 1- x Sr x Co 1- y Fe y O 3- δ cathode in solid oxide fuel cells: a first-principles study
      Wang, Zhenbin and Peng, Ranran and Zhang, Wenhua and Wu, Xiaojun and Xia, Changrong and Lu, Yalin
      Journal of Materials Chemistry A, 2013, 1, 12932--12940, 41
      http://pubs.rsc.org/en/content/articlehtml/2013/ta/c3ta11554b
      分区:1
    6. Article: A novel fluorescent probe for selective detection of thiols in acidic solutions and labeling of acidic organelles in live cells
      Song, Qin-Hua and Wu, Qing-Qing and Liu, Chang-Hui and Du, Xiao-Jiao and Guo, Qing-Xiang
      Journal of Materials Chemistry B, 2013, 1, 438--442, 4, Royal Society of Chemistry
      分区:1
    7. Article: Control of spin in a La (Mn, Zn) AsO alloy by carrier doping
      Li, Xingxing and Wu, Xiaojun and Yang, Jinlong
      Journal of Materials Chemistry C, 2013, 1, 7197--7201, 43
      http://pubs.rsc.org/en/content/articlehtml/2013/tc/c3tc31514b
      分区:1
    8. Article: Ti-doped molybdenum-based perovskites as anodes for solid oxide fuel cells
      He, Beibei and Wang, Zhenbin and Zhao, Ling and Pan, Xin and Wu, Xiaojun and Xia, Changrong
      Journal of Power Sources, 2013, 241, 627--633, 0
      http://www.sciencedirect.com/science/article/pii/S0378775313007684
      分区:1
    9. Article: Helium separation via porous silicene based ultimate membrane
      Hu, Wei and Wu, Xiaojun and Li, Zhenyu and Yang, Jinlong
      Nanoscale, 2013, 5, 9062--9066, 19
      http://pubs.rsc.org/en/content/articlehtml/2013/nr/c3nr02326e
      分区:1
    10. Article: New insight into the electronic shell of Au 38 (SR) 24: a superatomic molecule
      Cheng, Longjiu and Ren, Changda and Zhang, Xiuzhen and Yang, Jinlong
      Nanoscale, 2013, 5, 1475--1478, 4, Royal Society of Chemistry
      分区:1
    11. Article: Critical scaling in thermal systems near the zero-temperature jamming transition
      Wang, Lijin and Xu, Ning
      Soft Matter, 2013, 9, 2475--2483, 8, Royal Society of Chemistry
      分区:1
    12. Article: First-principles investigation of dual substitutional impurity-induced electronic structural modulation of PbTe on cationic and anionic sites
      Wang, X. G. and Liu, J. and Peng, L. M.
      Acta Materialia, 2013, 61, 6428--6442, 17
      http://www.sciencedirect.com/science/article/pii/S1359645413005235
      分区:2
    13. Article: Orbital-selective single molecule rectifier on graphene-covered Ru (0001) Surface
      Lei, Shulai and Feng, Wei and Li, Bin and Li, Qunxiang and Zhao, Aidi and Wang, Bing and Yang, Jinlong and Hou, JG
      Applied Physics Letters, 2013, 102, 163506, 16, AIP Publishing
      分区:2
    14. Article: Linear correlation between the C–H activation barrier and the C–Cu/C–H bond dissociation energy gap in Cu-promoted C–H activation of heteroarenes
      Lu, Qianqian and Yu, Haizhu and Fu, Yao
      Chemical Communications, 2013, 49, 10847--10849, 92
      http://pubs.rsc.org/en/content/articlehtml/2013/cc/c3cc46069j
      分区:2
    15. Article: Effect of Co doping on the electrochemical properties of Sr 2 Fe 1.5 Mo 0.5 O 6 electrode for solid oxide fuel cell
      Pan, Xin and Wang, Zhenbin and He, Beibei and Wang, Shaorong and Wu, Xiaojun and Xia, Changrong
      International Journal of Hydrogen Energy, 2013, 38, 4108--4115, 10, Elsevier
      分区:2
    16. Article: Orientation-sensitive nonlinear growth of graphene: An epitaxial growth mechanism determined by geometry
      Jiang, Huijun and Wu, Ping and Hou, Zhonghuai and Li, Zhenyu and Yang, Jinlong
      Physical Review B, 2013, 88, 054304, 5
      http://journals.aps.org/prb/abstract/10.1103/PhysRevB.88.054304
      分区:2
    17. Article: A computational infrared spectroscopic study of graphene oxide
      Yin, Di and Lu, Ning and Li, Zhenyu and Yang, Jinlong
      The Journal of Chemical Physics, 2013, 139, 084704, 8
      http://scitation.aip.org/content/aip/journal/jcp/139/8/10.1063/1.4818539
      分区:2
    18. Article: A first-principles study of ZnO polar surface growth: Adsorption of Zn x O y clusters
      Wang, Zhunzhun and Pan, Nan and Li, Zhenyu and Yang, Jinlong
      The Journal of chemical physics, 2013, 139, 124704, 12
      http://scitation.aip.org/content/aip/journal/jcp/139/12/10.1063/1.4821749
      分区:2
    19. Article: Communication: New insight into electronic shells of metal clusters: Analogues of simple molecules
      Cheng, Longjiu and Yang, Jinlong
      The Journal of chemical physics, 2013, 138, 141101, 14, AIP Publishing
      分区:2
    20. Article: Diamond as an inert substrate of graphene
      Hu, Wei and Li, Zhenyu and Yang, Jinlong
      The Journal of chemical physics, 2013, 138, 054701, 5
      http://scitation.aip.org/content/aip/journal/jcp/138/5/10.1063/1.4789420
      分区:2
    21. Article: Electronic and optical properties of graphene and graphitic ZnO nanocomposite structures
      Hu, Wei and Li, Zhenyu and Yang, Jinlong
      The Journal of chemical physics, 2013, 138, 124706, 12
      http://scitation.aip.org/content/aip/journal/jcp/138/12/10.1063/1.4796602
      分区:2
    22. Article: Nondecaying long range effect of surface decoration on the charge state of NV center in diamond
      Hu, Wei and Li, Zhenyu and Yang, Jinlong and Hou, Jianguo
      The Journal of chemical physics, 2013, 138, 034702, 3
      http://scitation.aip.org/content/aip/journal/jcp/138/3/10.1063/1.4775364
      分区:2
    23. Article: Structural, electronic, and optical properties of hybrid silicene and graphene nanocomposite
      Hu, Wei and Li, Zhenyu and Yang, Jinlong
      The Journal of chemical physics, 2013, 139, 154704, 15
      http://scitation.aip.org/content/aip/journal/jcp/139/15/10.1063/1.4824887
      分区:2
    24. Article: Structure, stability, and electronic property of carbon-doped gold clusters AunC-(n= 1–10): A density functional theory study
      Yan, Li-Li and Liu, Yi-Rong and Huang, Teng and Jiang, Shuai and Wen, Hui and Gai, Yan-Bo and Zhang, Wei-Jun and Huang, Wei
      The Journal of chemical physics, 2013, 139, 244312, 24
      http://scitation.aip.org/content/aip/journal/jcp/139/24/10.1063/1.4852179
      分区:2
    25. Article: Theoretical prediction of new carbon allotropes
      Yang, L. and He, H. Y. and Pan, B. C.
      The Journal of chemical physics, 2013, 138, 024502, 2
      http://scitation.aip.org/content/aip/journal/jcp/138/2/10.1063/1.4773448
      分区:2
    26. Article: Capture of H2S from binary gas mixture by imidazolium-based ionic liquids with nonfluorous anions: A theoretical study
      Chen, Jie-Jie and Li, Wen-Wei and Yu, Han-Qing and Li, Xue-Liang
      AIChE Journal, 2013, 59, 3824--3833, 10
      http://onlinelibrary.wiley.com/doi/10.1002/aic.14111/full
      分区:2
    27. Article: Conformation-specific dissociative photoionization of oxalyl chloride in the gas phase
      Chu, Genbai and Chen, Jun and Liu, Fuyi and Shan, Xiaobin and Han, Juguang and Sheng, Liusi
      Chemical Physics, 2013, 416, 26--32, 0
      http://www.sciencedirect.com/science/article/pii/S0301010413001249
      分区:2
    28. Article: Highly Enantioselective Aldol Reactions between Acetaldehyde and Activated Acyclic Ketones Catalyzed by Chiral Primary Amines
      Deng, Yu-Hua and Chen, Jin-Quan and He, Long and Kang, Tai-Ran and Liu, Quan-Zhong and Luo, Shi-Wei and Yuan, Wei-Chen
      Chemistry-A European Journal, 2013, 19, 7143--7150, 22
      http://onlinelibrary.wiley.com/doi/10.1002/chem.201300478/pdf
      分区:2
    29. Article: Mechanistic Study on Ligand-Controlled Cobalt-Catalyzed Regioselectivity-Switchable Hydroarylation of Styrenes
      Yang, Zhiwei and Yu, Haizhu and Fu, Yao
      Chemistry-A European Journal, 2013, 19, 12093--12103, 36
      http://onlinelibrary.wiley.com/doi/10.1002/chem.201203666/full
      分区:2
    30. Article: Regioselectivity and Competition of the Paternò–Büchi Reaction and Triplet–Triplet Energy Transfer between Triplet Benzophenones and Pyrimidines: Control by Triplet Energy Levels
      Liu, Xiu-Ling and Wang, Jian-Bo and Tong, Yao and Song, Qin-Hua
      Chemistry-A European Journal, 2013, 19, 13216--13223, 39
      http://onlinelibrary.wiley.com/doi/10.1002/chem.201300958/full
      分区:2
    31. Article: A novel ratiometric two-photon fluorescent probe for the detection of biothiols in solution and imaging of living cells.
      Wu, Qing-Qing and Xiao, Zu-Feng and Du, Xiao-Jiao and Song, Qin-Hua
      Chemistry-An Asian Journal, 2013, 8, 2564--2568, 11, Wiley Online Library
      分区:2
    32. Article: Mechanistic study of the rhodium-catalyzed [3+ 2+ 2] carbocyclization of alkenylidenecyclopropanes with alkynes.
      Yu, Haizhu and Lu, Qianqian and Dang, Zhimin and Fu, Yao
      Chemistry-An Asian Journal, 2013, 8, 2262--2273, 9
      分区:2
    33. Article: Computational study on mechanism of Rh (III)-catalyzed oxidative Heck coupling of phenol carbamates with alkenes
      Zhang, Qi and Yu, Hai-Zhu and Li, Yi-Tong and Liu, Lei and Huang, Yong and Fu, Yao
      Dalton Transactions, 2013, 42, 4175--4184, 12
      http://pubs.rsc.org/en/content/articlehtml/2013/dt/c3dt31898b
      分区:2
    34. Article: Mechanistic Study of Borylation of Nitriles Catalyzed by Rh--B and Ir--B Complexes via C--CN Bond Activation
      Jiang, Yuan-Ye and Yu, Hai-Zhu and Fu, Yao
      Organometallics, 2013, 32, 926--936, 3, ACS Publications
      分区:2
    35. Article: Mechanistic Study of Palladium-Catalyzed Chemoselective C (sp3)–H Activation of Carbamoyl Chloride
      Zhang, Qi and Yu, Hai-Zhu and Fu, Yao
      Organometallics, 2013, 32, 4165--4173, 15
      http://pubs.acs.org/doi/abs/10.1021/om400370v
      分区:2
    36. Article: Bipolar magnetic materials for electrical manipulation of spin-polarization orientation
      Li, Xingxing and Yang, Jinlong
      Physical Chemistry Chemical Physics, 2013, 15, 15793--15801, 38
      http://pubs.rsc.org/en/content/articlehtml/2013/cp/c3cp52623b
      分区:2
    37. Article: Giant reduction of the phase transition temperature for beryllium doped VO2
      Zhang, Jiajia and He, Haiyan and Xie, Yi and Pan, Bicai
      Physical Chemistry Chemical Physics, 2013, 15, 4687--4690, 13
      http://pubs.rsc.org/en/content/articlehtml/2013/cp/c3cp44476g
      分区:2
    38. Article: Hydrogenated bilayer wurtzite SiC nanofilms: a two-dimensional bipolar magnetic semiconductor material
      Yuan, Long and Li, Zhenyu and Yang, Jinlong
      Physical Chemistry Chemical Physics, 2013, 15, 497--503, 2
      http://pubs.rsc.org/en/content/articlehtml/2012/cp/c2cp43129g
      分区:2
    39. Article: Improved performance of graphene doped with pyridinic N for Li-ion battery: a density functional theory model
      Kong, Xiang-kai and Chen, Qian-wang
      Physical Chemistry Chemical Physics, 2013, 15, 12982--12987, 31
      http://pubs.rsc.org/en/content/articlehtml/2013/cp/c3cp51987b
      分区:2
    40. Article: Porous silicene as a hydrogen purification membrane
      Hu, Wei and Wu, Xiaojun and Li, Zhenyu and Yang, Jinlong
      Physical Chemistry Chemical Physics, 2013, 15, 5753--5757, 16
      http://pubs.rsc.org/en/content/articlehtml/2013/cp/c3cp00066d
      分区:2
    41. Article: STM tip-assisted single molecule chemistry
      Zhao, Aidi and Tan, Shijing and Li, Bin and Wang, Bing and Yang, Jinlong and Hou, JG
      Physical Chemistry Chemical Physics, 2013, 15, 12428--12441, 30, Royal Society of Chemistry
      分区:2
    42. Article: Tailoring the band gap of ZnO/MgZnO coaxial nanowires by the size and the component of Mg
      Zhang, Y. G. and He, H. Y. and Pan, B. C.
      Physical Chemistry Chemical Physics, 2013, 15, 2932--2936, 8
      http://pubs.rsc.org/en/content/articlehtml/2012/cp/c2cp44130f
      分区:2
    43. Article: Coherent interference in the resonant dissociative electron attachment to carbon monoxide
      Tian, Shan Xi and Wu, Bin and Xia, Lei and Wang, Yong-Feng and Li, Hong-Kai and Zeng, Xian-Jin and Luo, Yi and Yang, Jinlong
      Physical Review A, 2013, 88, 012708, 1, APS
      分区:2
    44. Article: Prediction and optimization of the performance of parabolic solar dish concentrator with sphere receiver using analytical function
      Huang, Weidong and Huang, Farong and Hu, Peng and Chen, Zeshao
      Renewable Energy, 2013, 53, 18--26, 0
      http://www.sciencedirect.com/science/article/pii/S0960148112006921
      分区:2
    45. Article: Theoretical analysis of error transfer from surface slope to refractive ray and their application to the solar concentrated collector
      Huang, Weidong and Li, Yongping and Han, Zhengfu
      Renewable Energy, 2013, 57, 562--569, 0
      http://www.sciencedirect.com/science/article/pii/S0960148113001389
      分区:2
    46. Article: Facet-dependent electrochemical properties of Co3O4 nanocrystals toward heavy metal ions
      Yu, Xin-Yao and Meng, Qiang-Qiang and Luo, Tao and Jia, Yong and Sun, Bai and Li, Qun-Xiang and Liu, Jin-Huai and Huang, Xing-Jiu
      Scientific reports, 2013, 3, 0, Nature Publishing Group
      分区:2
    47. Article: Rocking-Chair Configuration in Ultrathin Lithium Vanadate-Graphene Hybrid Nanosheets for Electrical Modulation
      Zhu, Haiou and Qin, Xinming and Sun, Xu and Yan, Wensheng and Yang, Jinlong and Xie, Yi
      Scientific reports, 2013, 3, 0, Nature Publishing Group
      分区:2
    48. Article: Semihydrogenated BN Sheet: A Promising Visible-light Driven Photocatalyst for Water Splitting
      Li, Xingxing and Zhao, Jin and Yang, Jinlong
      Scientific reports, 2013, 3, 0
      http://www.nature.com/srep/2013/130517/srep01858/full/srep01858.html?WT.ec_id=SREP-20130521
      分区:2
    49. Article: Development and evaluation of several models for precise and fast calculations of shading and blocking in heliostats field
      Huang, Weidong and Li, Longlong and Li, Yongping and Han, Zhengfu
      Solar Energy, 2013, 95, 255--264, 0
      http://www.sciencedirect.com/science/article/pii/S0038092X13002375
      分区:2
    50. Article: Gauss–Legendre integration of an analytical function to calculate the optical efficiency of a heliostat
      Huang, Weidong and Li, Huairui and Li, Longlong and Hu, Peng and Chen, Zeshao
      Solar Energy, 2013, 92, 7--14, 0
      http://www.sciencedirect.com/science/article/pii/S0038092X13000972
      分区:2
    51. Article: Optical analysis and optimization of parabolic dish solar concentrator with a cavity receiver
      Li, Huairui and Huang, Weidong and Huang, Farong and Hu, Peng and Chen, Zeshao
      Solar Energy, 2013, 92, 288--297, 0
      http://www.sciencedirect.com/science/article/pii/S0038092X13001084
      分区:2
    52. Article: Computational insight on the working principles of zinc porphyrin dye-sensitized solar cells
      Ju, Ming-Gang and Liang, WanZhen
      The Journal of Physical Chemistry C, 2013, 117, 14899--14911, 29
      http://pubs.acs.org/doi/abs/10.1021/jp3125445
      分区:2
    53. Article: Electronic Stability of Phosphine-Protected Au20 Nanocluster: Superatomic Bonding
      Yuan, Yuan and Cheng, Longjiu and Yang, Jinlong
      The Journal of Physical Chemistry C, 2013, 117, 13276--13282, 25, ACS Publications
      分区:2
    54. Article: Organometallic Hexahapto-Functionalized Graphene: Band Gap Engineering with Minute Distortion to the Planar Structure
      Dai, Jun and Zhao, Yu and Wu, Xiaojun and Zeng, Xiao Cheng and Yang, Jinlong
      The Journal of Physical Chemistry C, 2013, 117, 22156--22161, 42, ACS Publications
      分区:2
    55. Article: Potential Dependence of Cyanide Adsorption at a Pt Electrode in Acidic Solution: An Electrochemical in Situ Infrared Spectroscopic Study
      Liu, Shao Xiong and Zheng, Yong Li and Xu, Jie and Cai, Jun and Zhang, Wen Hua and Yang, Jin Long and Chen, Yan Xia
      The Journal of Physical Chemistry C, 2013, 117, 15562--15570, 30, ACS Publications
      分区:2
    56. Article: Structural Stability of La2Ce2O7 as a Proton Conductor: A First-Principles Study
      Zhang, Qingping and Zheng, Xiao and Jiang, Jun and Liu, Wei
      The Journal of Physical Chemistry C, 2013, 117, 20379--20386, 40
      http://pubs.acs.org/doi/abs/10.1021/jp403660y
      分区:2
    57. Article: Thermodynamics of Ammonia and Ammonium Ion at the Aqueous Solution–Air Interfaces
      Fu, Cen-Feng and Tian, Shan Xi
      The Journal of Physical Chemistry C, 2013, 117, 13011--13020, 25
      http://pubs.acs.org/doi/abs/10.1021/jp312110w
      分区:2
    58. Article: Exploration of structures of two-dimensional boron--silicon compounds with sp2 silicon
      Dai, Jun and Zhao, Yu and Wu, Xiaojun and Yang, Jinlong and Zeng, Xiao Cheng
      The Journal of Physical Chemistry Letters, 2013, 4, 561--567, 4, ACS Publications
      分区:2
    59. Article: Unusual metallic microporous boron nitride networks
      Dai, Jun and Wu, Xiaojun and Yang, Jinlong and Zeng, Xiao Cheng
      The Journal of Physical Chemistry Letters, 2013, 4, 3484--3488, 20, ACS Publications
      分区:2
    60. Article: Enhanced Oxygen Reduction Reactions in Fuel Cells on H-Decorated and B-Substituted Graphene
      Kong, Xiangkai and Chen, Qianwang and Sun, Zhiyuan
      ChemPhysChem, 2013, 14, 514--519, 3
      http://onlinelibrary.wiley.com/doi/10.1002/cphc.201200918/full
      分区:3
    61. Article: Filter-matrix lattice Boltzmann simulation of lid-driven deep-cavity flows, Part II—Flow bifurcation
      Zhuo, Congshan and Zhong, Chengwen and Cao, Jun
      Computers & Mathematics with Applications, 2013, 65, 1883--1893, 12
      http://www.sciencedirect.com/science/article/pii/S0898122113001533
      分区:3
    62. Article: LES-based filter-matrix lattice Boltzmann model for simulating turbulent natural convection in a square cavity
      Zhuo, Congshan and Zhong, Chengwen
      International Journal of Heat and Fluid Flow, 2013, 42, 10--22, 0
      http://www.sciencedirect.com/science/article/pii/S0142727X13000702
      分区:3
    63. Article: Experimental and theoretical studies of pyrolysis of chrysophanol and its derivatives
      Jia, Liangyuan and Yang, Jiuzhong and Zhang, Lidong and Zhang, Feng and Qi, Fei and Fan, Haiyan and Cai, Jibao
      Journal of Analytical and Applied Pyrolysis, 2013, 100, 237--244, 0
      http://www.sciencedirect.com/science/article/pii/S0165237013000065
      分区:3
    64. Article: A reverse Monte Carlo method for deriving optical constants of solids from reflection electron energy-loss spectroscopy spectra
      Da, B. and Sun, Y. and Mao, S. F. and Zhang, Z. M. and Jin, H. and Yoshikawa, H. and Tanuma, S. and Ding, Z. J.
      Journal of Applied Physics, 2013, 113, 214303, 21
      http://scitation.aip.org/content/aip/journal/jap/113/21/10.1063/1.4809544
      分区:3
    65. Article: Carrier-tunable magnetism of graphene with single-atom vacancy
      Lei, Shulai and Li, Bin and Kan, Erjun and Huang, Jing and Li, Qunxiang and Yang, Jinlong
      Journal of Applied Physics, 2013, 113, 213709, 21
      http://scitation.aip.org/content/aip/journal/jap/113/21/10.1063/1.4809562
      分区:3
    66. Article: Studies on the binding modes of Lassa nucleoprotein complexed with m7GpppG and dTTP by molecular dynamic simulations and free energy calculations
      Li, Liang and Li, Dan and Chen, Hang and Han, Ju-Guang
      Journal of Biomolecular Structure & Dynamics, 2013, 31, 299--315, 3
      http://www.tandfonline.com/doi/abs/10.1080/07391102.2012.703061
      分区:3
    67. Article: VUV photoionization and dissociation of o-nitrotoluene: Experimental and theoretical insights
      Cao, Maoqi and Li, Yuquan and Chu, Genbai and Chen, Jun and Shan, Xiaobin and Liu, Fuyi and Wang, Zhenya and Sheng, Liusi
      Journal of Electron Spectroscopy and Related Phenomena, 2013, 191, 41--47, 0
      http://www.sciencedirect.com/science/article/pii/S0368204813001497
      分区:3
    68. Article: Tuning the Electronic Properties of N@ C60 Molecule: A Theoretical Study
      Huang, Jing and Li, Qunxiang and Yang, Jinlong
      Journal of nanoscience and nanotechnology, 2013, 13, 1053--1058, 2
      http://www.ingentaconnect.com/content/asp/jnn/2013/00000013/00000002/art00066
      分区:3
    69. Article: The behavior of oxygen in liquid lead–bismuth eutectic
      Li, Dongdong and Song, Chi and He, H. Y. and Liu, C. S. and Pan, B. C. and Wu, Y. C.
      Journal of Nuclear Materials, 2013, 437, 62--65, 1
      http://www.sciencedirect.com/science/article/pii/S0022311513003905
      分区:3
    70. Article: Diffusion and desorption of oxygen atoms on graphene
      Dai, Yafei and Ni, Shuang and Li, Zhenyu and Yang, Jinlong
      Journal of Physics: Condensed Matter, 2013, 25, 405301, 40
      http://iopscience.iop.org/0953-8984/25/40/405301
      分区:3
    71. Article: Mechanism of arylboronic acid-catalyzed amidation reaction between carboxylic acids and amines
      Wang, Chen and Yu, Hai-Zhu and Fu, Yao and Guo, Qing-Xiang
      Organic & biomolecular chemistry, 2013, 11, 2140--2146, 13
      http://pubs.rsc.org/en/content/articlehtml/2013/ob/c3ob27367a
      分区:3
    72. Article: A new progressive algorithm for a multiple longest common subsequences problem and its efficient parallelization
      Yang, Jiaoyun and Xu, Yun and Sun, Guangzhong and Shang, Yi
      Parallel and Distributed Systems, IEEE Transactions on, 2013, 24, 862--870, 5, IEEE
      分区:3
    73. Article: Dynamical traffic light strategy in the Biham-Middleton-Levine model
      Xie, Jia-Rong and Jiang, Rui and Ding, Zhong-Jun and Li, Qi-Lang and Wang, Bing-Hong
      Physical Review E, 2013, 87, 022812, 2
      http://journals.aps.org/pre/abstract/10.1103/PhysRevE.87.022812
      分区:3
    74. Article: Vanadium sulfide nanoribbons: Electronic and magnetic properties
      Zhang, Yan and Wu, Xiaojun
      Physics Letters A, 2013, 377, 3154--3157, 43
      http://www.sciencedirect.com/science/article/pii/S0375960113009134
      分区:3
    75. Article: Large eddy simulation of flow development and noise generation of free and swirling jets
      Wan, Zhen-Hua and Zhou, Lin and Yang, Hai-Hua and Sun, De-Jun
      Physics of Fluids, 2013, 25, 126103, 12
      http://scitation.aip.org/content/aip/journal/pof2/25/12/10.1063/1.4833215
      分区:3
    76. Article: Structural dynamics of human telomeric G-quadruplex loops studied by molecular dynamics simulations
      Zhu, Hong and Xiao, Shiyan and Liang, Haojun
      PloS one, 2013, 8, 8
      http://dx.plos.org/10.1371/journal.pone.0071380
      分区:3
    77. Article: A density functional study of phosphorus-doped gold clusters: Au n P-(n= 1–8)
      Xu, Kang-Ming and Huang, Teng and Wen, Hui and Liu, Yi-Rong and Gai, Yan-Bo and Zhang, Wei-Jun and Huang, Wei
      RSC Advances, 2013, 3, 24492--24502, 46
      http://pubs.rsc.org/en/content/articlehtml/2013/ra/c3ra43938k
      分区:3
    78. Article: The positive influence of boron-doped graphyne on surface enhanced Raman scattering with pyridine as the probe molecule and oxygen reduction reaction in fuel cells
      Kong, Xiang-kai and Chen, Qian-wang and Sun, Zhiyuan
      RSC Advances, 2013, 3, 4074--4080, 12
      http://pubs.rsc.org/en/content/articlehtml/2013/ra/c3ra40190a
      分区:3
    79. Article: Monte Carlo Simulation of CD-SEM Images for Linewidth and Critical Dimension Metrology
      Li, Y. G. and Zhang, P. and Ding, Z. J.
      Scanning, 2013, 35, 127--139, 2
      http://onlinelibrary.wiley.com/doi/10.1002/sca.21042/full
      分区:3
    80. Article: Mechanistic insights into N-or P-centered nucleophile promoted thiol–vinylsulfone Michael addition
      Wang, Chen and Qi, Chenze
      Tetrahedron, 2013, 69, 5348--5354, 26
      http://www.sciencedirect.com/science/article/pii/S0040402013006832
      分区:3
    81. Article: Experimental and theoretical investigations on the ferroelectricity of graphene oxides
      Xiangkai, Kong and Qianwang, Chen
      Acta Chimica Sinica, 2013, 71, 381--386, 3, SCIENCE PRESS 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA
      分区:4
    82. Article: Enhanced SERS of the complex substrate using Au supported on graphene with pyridine and R6G as the probe molecules
      Kong, Xiang-kai and Chen, Qian-wang and Sun, Zhi-yuan
      Chemical Physics Letters, 2013, 564, 54--59, 0
      http://www.sciencedirect.com/science/article/pii/S0009261413002005
      分区:4
    83. Article: Spin-polarized transport properties of Mn@ Au 6 cluster
      Huang, Jing and Wang, Weiyi and Yang, Shangfeng and Li, Qunxiang and Yang, Jinlong
      Chemical Physics Letters, 2013, 590, 111--115, 0, Elsevier
      分区:4
    84. Article: DFT Study on Structural Distortion and Vibronic Coupling of Vanadyl Porphyrin Anion and Cation
      Gao, Hui-ling and Chen, Fang and Yao, Guo-hua and Chen, Dong-ming
      Chinese Journal of Chemical Physics, 2013, 26, 504--511, 5, Chinese Physical Society
      分区:4
    85. Article: Vibrational Spectra and Density Functional Theory Calculations of Metallotriphenylcorroles
      Gao, Hui-ling and Chen, Fang and Wang, Chun-lei and Wang, Guo-bing and Chen, Dong-ming
      Chinese Journal of Chemical Physics, 2013, 26, 398--408, 4, Chinese Physical Society
      分区:4
    86. Article: Accurate Prediction of Au P Bond Strengths by Density Functional Theory Methods
      Yu, Haizhu and Liu, Dingjia and Dang, Zhimin and Wang, Dongrui and Fu, Yao
      Chinese Journal of Chemistry, 2013, 31, 200--208, 2
      http://onlinelibrary.wiley.com/doi/10.1002/cjoc.201200753/abstract
      分区:4
    87. Article: A First-Principles Investigation of the Carrier Doping Effect on the Magnetic Properties of Defective Graphene
      Shu-Lai, Lei and Bin, Li and Jing, Huang and Qun-Xiang, Li and Jin-Long, Yang
      Chinese Physics Letters, 2013, 30, 077502, 7
      http://iopscience.iop.org/0256-307X/30/7/077502
      分区:4
    88. Article: Surface and size effects on the charge state of NV center in nanodiamonds
      Hu, Wei and Li, Zhenyu and Yang, Jinlong
      Computational and Theoretical Chemistry, 2013, 1021, 49--53, 0
      http://www.sciencedirect.com/science/article/pii/S2210271X13002454
      分区:4
    89. Article: Theoretical study on $eta$-H elimination in Heck reactions of heterocyclic substrates
      Tang, Shi-Ya and Zhang, Jie and Fu, Yao
      Computational and Theoretical Chemistry, 2013, 1007, 31--40, 0, Elsevier
      分区:4
    90. Article: Computational Fluid Dynamics Simulation of Flows in an Oxidation Ditch Driven by a New Surface Aerator
      Huang, Weidong and Li, Kun and Wang, Gan and Wang, Yingzhe
      Environmental engineering science, 2013, 30, 663--671, 11, Mary Ann Liebert, Inc. 140 Huguenot Street, 3rd Floor New Rochelle, NY 10801 USA
      分区:4
    91. Article: A computational investigation on the geometries, stabilities, antioxidant activity, and the substituent effects of the L-ascorbic acid and their derivatives
      Zhao, Run-Ning and Yuan, Yanhong and Liu, Fuyi and Han, Ju-Guang and Sheng, LiuSi
      International Journal of Quantum Chemistry, 2013, 113, 2220--2227, 19
      http://onlinelibrary.wiley.com/doi/10.1002/qua.24434/full
      分区:4
    92. Article: Scanning tunneling microscopy and density functional theory combined studies of rutile TiO2 (1 1 0) surface chemistry: Watch surface processes at the atomic scale
      Zhang, Wenhua and Li, Zhenyu and Wang, Bing and Yang, Jinlong
      International Journal of Quantum Chemistry, 2013, 113, 89--95, 2, Wiley Online Library
      分区:4
    93. Article: Treatment of evacuation time uncertainty using polynomial chaos expansion
      Xie, Qimiao and Lu, Shouxiang and Kong, Depeng and Wang, Jinhui
      Journal of Fire Protection Engineering, 2013, 23, 31--49, 1
      http://jfe.sagepub.com/content/23/1/31.short
      分区:4
    94. Article: Method for a quick estimation of energy dependent reflection electron energy loss spectroscopy spectra for Al and Si
      Tang, T and Zhang, ZM and Da, B and Gong, JB and Goto, K and Ding, ZJ
      Physica B: Condensed Matter, 2013, 423, 64--68, 0, Elsevier
      分区:4
    95. Article: Charging Effect in Plasma Etching Mask of Hole Array
      Peng, Zhang and Jun, Wang and Yang, Sun and Zejun, Ding
      Plasma Science & Technology, 2013, 15, 570, 6, IOP Publishing
      分区:4
    96. Article: Mechanistic study of copper-catalyzed intramolecular ortho-CH activation/carbon-nitrogen and carbon-oxygen cyclizations
      Tang, ShiYa and Gong, TianJun and Fu, Yao
      Science China Chemistry, 2013, 56, 619--632, 5, Springer
      分区:4
    97. Article: Systematic calculation of the surface excitation parameters for 22 materials
      Da, B. and Sun, Y. and Mao, S. F. and Ding, Z. J.
      Surface and Interface Analysis, 2013, 45, 773--780, 3
      http://onlinelibrary.wiley.com/doi/10.1002/sia.5164/full
      分区:4
    98. Article: Calculation of the emission depth distribution function for electrons emitted from a crystal by the Bloch wave method
      Zeng, R. G. and Ding, Z. J.
      Surface Science, 2013, 608, 102--108, 0
      http://www.sciencedirect.com/science/article/pii/S0039602812003524
      分区:4
    99. Article: 实验和理论研究石墨烯氧化物的铁电性
      Xiangkai, Kong and Qianwang, Chen and others
      化学学报, 2013, 71, 381--386, 3
      http://sioc-journal.cn/Jwk_hxxb/CN/article/downloadArticleFile.do?attachType=PDF&id=341862
      分区:4
    100. Article: 耗散粒子动力学研究双层膜线张力与抗弯刚度的关系
      Liu, Yuan and Liang, Hao-jun and others
      高分子学报, 2013, 570--575, 4
      分区:4
    101. InProceedings: A Density Based Performance Prediction Model for Cloud Services
      Xu, Lin and Zhang, Song and Li, Jing
      Cloud Computing and Big Data (CloudCom-Asia), 2013 International Conference on, 2013, 92--99, 0, IEEE
      http://ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=6820978
    102. InProceedings: A Framework for Template Driven Automatic Generated Platforms
      Hu, Shu and Li, Jing and Song, Hu
      Advanced Materials Research, 2013, 756, 3904--3908, 0, Trans Tech Publ
      http://www.scientific.net/AMR.756-759.3904
    103. InProceedings: A Knowledge-Based Development Approach with Fact and Service for End-User in Cloud Computing
      Zhou, Rui and Li, Jing and Wang, Jinghan and Wang, Guowei
      Computer Software and Applications Conference Workshops (COMPSACW), 2013 IEEE 37th Annual, 2013, 277--282, 0, IEEE
      http://ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=6605802
    104. InProceedings: Batch job based auto-scaling system on cloud computing platform
      Guo, Yuan Yuan and Li, Jing and Liu, Xin Chun and Wang, Wei Wei
      Advanced Materials Research, 2013, 756, 2386--2390, 0, Trans Tech Publ
      http://www.scientific.net/AMR.756-759.2386
    105. Article: DFT Study on Mechanism of Ruthenium-catalyzed meta Sulfonation
      Dingjia, Liu and Haizhu, Yu and Yao, Fu and others
      , 2013, 0
    106. InProceedings: FFSB: Fast Fibonacci Series-Based personalized PageRank on MPI
      Yin, Hongjun and Li, Jing and Niu, Yue
      Information, Communications and Signal Processing (ICICS) 2013 9th International Conference on, 2013, 1--6, 0, IEEE
    107. InProceedings: Monte Carlo simulation of realistic beam-sample interaction in SEM: application to evaluation of sharpness measurement methods
      Ruan, Z. and Mao, S. F. and Zhang, P. and Li, H. M. and Ding, Z. J.
      SPIE Defense, Security, and Sensing, 2013, 87290J--87290J, 0, International Society for Optics and Photonics
      http://proceedings.spiedigitallibrary.org/proceeding.aspx?articleid=1692540
    108. InProceedings: Monte Carlo simulation of x-ray photoemission electron microscopic image
      Zhang, Z. M. and Tang, T. and Mao, S. F. and Ding, Z. J.
      SPIE Defense, Security, and Sensing, 2013, 87290L--87290L, 0, International Society for Optics and Photonics
      http://proceedings.spiedigitallibrary.org/proceeding.aspx?articleid=1692542
    109. InProceedings: Monte Carlo study of the influence of electron beam focusing to SEM linewidth measurement
      Zhang, P. and Mao, S. F. and Zhang, Z. M. and Ding, Z. J.
      SPIE Defense, Security, and Sensing, 2013, 87290K--87290K, 0, International Society for Optics and Photonics
      http://proceedings.spiedigitallibrary.org/proceeding.aspx?articleid=1692541
    110. Article: Surface optical properties for copper based on surface Kramers-Kroning analysis
      Tang, T and Zhang, ZM and T{H{o}}k{'e}si, K and Goto, K and Ding, ZJ
      , 2013, 87290I--87290I, 0, International Society for Optics and Photonics
    111. Article: Numerical method to calculate Gini coefficient from limited data of subgroups
      Huang, Weidong
      Applied Economics Letters, 2013, 20, 1249--1253, 13
      http://www.tandfonline.com/doi/abs/10.1080/13504851.2013.802083
    112. Article: MMSD: a Metadata-Aware Multi-Tiered Source Deduplication Cloud Backup System in the Personal Computing Environment
      Meng, Haiyan and Li, Jing and Liu, Weiqing and Zhang, Changchun
      International Review on Computers and Software (IRECOS), 2013, 8, 542--550, 2, Praise Worthy Prize
    113. Article: Hydrogen-Incorporated TiS2 Ultrathin Nanosheets with Ultrahigh Conductivity for Stamp-Transferrable Electrodes
      Lin, Chenwen and Zhu, Xiaojiao and Feng, Jun and Wu, Changzheng and Hu, Shuanglin and Peng, Jing and Guo, Yuqiao and Peng, Lele and Zhao, Jiyin and Huang, Jianliu and others
      Journal of the American Chemical Society, 2013, 04, 0
      分区:1
    114. Article: Surface Facet of Palladium Nanocrystals: A Key Parameter to the Activation of Molecular Oxygen for Organic Catalysis and Cancer Treatment
      Long, Ran and Mao, Keke and Ye, Xiaodong and Yan, Wensheng and Huang, Yaobing and Wang, Jianyong and Fu, Yao and Wang, Xisheng and Wu, Xiaojun and Xie, Yi and others
      Journal of the American Chemical Society, 2013, 02, 0
      分区:1
    115. Article: Surface structure-dependent molecular oxygen activation of BiOCl single-crystalline nanosheets
      Zhao, Kun and Zhang, Lizhi and Wang, Jiajun and Li, Qunxiang and He, Weiwei and Yin, Jun Jie
      Journal of the American Chemical Society, 2013, 00, 0
      分区:1
    116. Article: Chemical mapping of a single molecule by plasmon-enhanced Raman scattering
      Zhang, R and Zhang, Y and Dong, ZC and Jiang, S and Zhang, C and Chen, LG and Zhang, L and Liao, Y and Aizpurua, J and Luo, Y ea and others
      Nature, 2013, 06, 0
      分区:1
    117. Article: Facile Synthesis of Pentacle Au-Cu Alloy Nanocrystals and their Plasmonic and Catalytic Properties
      He, Rong and Wang, You-Cheng and Wang, Xiaoyong and Wang, Zhantong and Liu, Gang and Zhou, Wei and Wen, Longping and Li, Qunxiang and Wang, Xiaoping and Chen, Xiaoyuan and others
      Nature Communication, 2013, 00, 0
      分区:1
    118. Article: Role of point defects on the reactivity of reconstructed anatase titanium dioxide (001) surface
      Wang, Yang and Sun, Huijuan and Tan, Shijing and Feng, Hao and Cheng, Zhengwang and Zhao, Jin and Zhao, Aidi and Wang, Bing and Luo, Yi and Yang, Jinlong and others
      Nature Communications, 2013, 07, 0
      分区:1
    119. Article: MRT-LBM simulation of four-lid-driven cavity flow bifurcation
      Zhuo, Congshan and Zhong, Chengwen and Guo, Xixiong and Cao, Jun
      Procedia Engineering, 2013, 61, 100--107, 0, Elsevier
    120. Article: Mode decomposition of a noise suppressed mixing layer
      Wan, Zhenhua and Yang, Haihua and Zhou, Lin and Sun, Dejun
      Theoretical and Applied Mechanics Letters, 2013, 3, 042007, 4
      http://scitation.aip.org/content/cstam/journal/taml/3/4/10.1063/2.1304207
    121. Article: 矩阵环上快速公钥密码算法的安全分析
      古春生 and 吴访升 and 景征骏 and 于志敏
      山东大学学报 (理学版), 2013, 48, 22--28, 9, 万方数据资源系统
    122. Article: 破解 HFEM 公钥密码方案
      古春生
      通信学报, 2013, 34, 85--89, 3
    123. Article: 破解新型的轻量级数字签名方案
      古春生
      通信学报, 2013, 34, 154--158, 7

    2012年:84篇

    1. Article: Band-gap engineering via tailored line defects in boron-nitride nanoribbons, sheets, and nanotubes
      Li, Xiuling and Wu, Xiaojun and Zeng, Xiao Cheng and Yang, Jinlong
      Acs Nano, 2012, 6, 4104--4112, 5
      http://pubs.acs.org/doi/abs/10.1021/nn300495t
      分区:1
    2. Article: Macroscopic multifunctional graphene-based hydrogels and aerogels by a metal ion induced self-assembly process
      Cong, Huai-Ping and Ren, Xiao-Chen and Wang, Ping and Yu, Shu-Hong
      Acs Nano, 2012, 6, 2693--2703, 3
      http://pubs.acs.org/doi/abs/10.1021/nn300082k
      分区:1
    3. Article: Improving biogas separation and methane storage with multilayer graphene nanostructure via layer spacing optimization and lithium doping: a molecular simulation investigation
      Chen, Jie-Jie and Li, Wen-Wei and Li, Xue-Liang and Yu, Han-Qing
      Environmental science & technology, 2012, 46, 10341--10348, 18
      http://pubs.acs.org/doi/abs/10.1021/es301774g
      分区:1
    4. Article: Manipulation of microbial extracellular electron transfer by changing molecular structure of phenazine-type redox mediators
      Chen, Jie-Jie and Chen, Wei and He, Hui and Li, Dao-Bo and Li, Wen-Wei and Xiong, Lu and Yu, Han-Qing
      Environmental science & technology, 2012, 47, 1033--1039, 2
      http://pubs.acs.org/doi/abs/10.1021/es304189t
      分区:1
    5. Article: The positive influence of boron-doped graphene with pyridine as a probe molecule on SERS: a density functional theory study
      Kong, Xiangkai and Chen, Qianwang
      Journal of Materials Chemistry, 2012, 22, 15336--15341, 30
      http://pubs.rsc.org/en/content/articlehtml/2012/jm/c2jm32050a
      分区:1
    6. Article: Lattice mismatch induced nonlinear growth of graphene
      Wu, Ping and Jiang, Huijun and Zhang, Wenhua and Li, Zhenyu and Hou, Zhonghuai and Yang, Jinlong
      Journal of the American Chemical Society, 2012, 134, 6045--6051, 13
      http://pubs.acs.org/doi/abs/10.1021/ja301791x
      分区:1
    7. Article: ELECTRONIC, MAGNETIC, AND MECHANICAL PROPERTIES OF LINE-DEFECT EMBEDDED GRAPHENE NANORIBBONS: A FIRST-PRINCIPLES STUDY
      GUAN, ZHAOYONG and WU, XIAOJUN and LI, QUNXIANG
      Nano LIFE, 2012, 2, 1240003, 2
      http://www.worldscientific.com/doi/abs/10.1142/S1793984411000487
      分区:1
    8. Article: A first-principles prediction of two-dimensional superconductivity in pristine B 2 C single layers
      Dai, Jun and Li, Zhenyu and Yang, Jinlong and Hou, Jianguo
      Nanoscale, 2012, 4, 3032--3035, 10
      http://pubs.rsc.org/en/content/articlehtml/2012/nr/c2nr12018f
      分区:1
    9. Article: Bipolar magnetic semiconductors: a new class of spintronics materials
      Li, Xingxing and Wu, Xiaojun and Li, Zhenyu and Yang, Jinlong and Hou, J. G.
      Nanoscale, 2012, 4, 5680--5685, 18
      http://pubs.rsc.org/en/content/articlehtml/2012/nr/c2nr31743e
      分区:1
    10. Article: Oxygen molecule dissociation on carbon nanostructures with different types of nitrogen doping
      Ni, Shuang and Li, Zhenyu and Yang, Jinlong
      Nanoscale, 2012, 4, 1184--1189, 4
      http://pubs.rsc.org/en/content/articlehtml/2012/nr/c1nr11086a
      分区:1
    11. Article: Interlayer shear effect on multilayer graphene subjected to bending
      Shen, YongKuan and Wu, HengAn
      Applied Physics Letters, 2012, 100, 101909, 10, AIP Publishing
      分区:2
    12. Article: Solution structure of the Pdp1 PWWP domain reveals its unique binding sites for methylated H4K20 and DNA
      Yu, Qiu and Wen, Zhang and Chen, Zhao and Yan, Wang and Weiwei, Wang and Jiahai, Zhang and Zhiyong, Zhang and Guohong, Li and Yunyu, Shi and Xiaoming, TU and others
      Biochemical Journal, 2012, 442, 527--538, 3, Portland Press Ltd.
      分区:2
    13. Article: In situ controllable synthesis platinum nanocrystals on TiO 2 by novel polyol-process combined with light induced photocatalysis oxidation
      Jiang, Zhi and Guo, Hongyan and Jiang, Zheng and Chen, Guosheng and Xia, Longfei and Shangguan, Wenfeng and Wu, Xiaojun
      Chemical Communications, 2012, 48, 9598--9600, 77
      http://pubs.rsc.org/en/content/articlehtml/2012/cc/c2cc34437h
      分区:2
    14. Article: Efficient spin filter based on FeN4 complexes between carbon nanotube electrodes
      Huang, Jing and Wang, Weiyi and Yang, Shangfeng and Li, Qunxiang and Yang, Jinlong
      Nanotechnology, 2012, 23, 255202, 25
      http://iopscience.iop.org/0957-4484/23/25/255202
      分区:2
    15. Article: Direct observation of a positive spin polarization at the (111) surface of magnetite
      Pratt, A and Kurahashi, M and Sun, X and Gilks, D and Yamauchi, Y
      Physical Review B, 2012, 85, 180409, 18, APS
      分区:2
    16. Article: Constraints on primordial gravitational waves with variable sound speed from current CMB data
      Cheng, Cheng and Huang, Qing-Guo and Li, Xiao-Dong and Ma, Yin-Zhe
      Physical Review D, 2012, 86, 123512, 12
      http://journals.aps.org/prd/abstract/10.1103/PhysRevD.86.123512
      分区:2
    17. Article: Cosmological Interpretations of Consistency Relation of Inflation Models with Current CMB Data
      Cheng, Cheng and Li, Xiao-Dong and Huang, Qing-Guo and Ma, Yin-Zhe
      Physical Review D, 2012, 86, 123512, 0
      http://inspirehep.net/record/1123846/
      分区:2
    18. Article: Highly selective adsorption of methanol in carbon nanotubes immersed in methanol-water solution
      Zhao, Wen-Hui and Shang, Bo and Du, Sheng-Ping and Yuan, Lan-Feng and Yang, Jinlong and Zeng, Xiao Cheng
      The Journal of Chemical Physics, 2012, 137, 034501, 3
      http://scitation.aip.org/content/aip/journal/jcp/137/3/10.1063/1.4732313
      分区:2
    19. Article: Iron-phthalocyanine molecular junction with high spin filter efficiency and negative differential resistance
      Huang, Jing and Xu, Ke and Lei, Shulai and Su, Haibin and Yang, Shangfeng and Li, Qunxiang and Yang, Jinlong
      The Journal of chemical physics, 2012, 136, 064707, 6, AIP Publishing
      分区:2
    20. Article: Mechanistic Origin of Cross-Coupling Selectivity in Ni-Catalysed Tishchenko Reactions
      Yu, Haizhu and Fu, Yao
      Chemistry-A European Journal, 2012, 18, 16765--16773, 52, Wiley Online Library
      分区:2
    21. Article: Thermodynamics and Conformations in the Formation of Excited States and Their Interconversions for Twisted Donor-Substituted Tridurylboranes
      Mao, Mao and Ren, Ming-Guang and Song, Qin-Hua
      Chemistry-A European Journal, 2012, 18, 15512--15522, 48
      http://onlinelibrary.wiley.com/doi/10.1002/chem.201201719/full
      分区:2
    22. Article: Solving extra-high-order Rubikʼs Cube problem by a dynamic simulated annealing
      Chen, Xi and Ding, Z. J.
      Computer Physics Communications, 2012, 183, 1658--1663, 8
      http://www.sciencedirect.com/science/article/pii/S0010465512001087
      分区:2
    23. Article: Temperature-accelerated sampling and amplified collective motion with adiabatic reweighting to obtain canonical distributions and ensemble averages
      Hu, Yue and Hong, Wei and Shi, Yunyu and Liu, Haiyan
      Journal of Chemical Theory and Computation, 2012, 8, 3777--3792, 10, ACS Publications
      分区:2
    24. Article: Time-Dependent Approach to Resonance Raman Spectra Including Duschinsky Rotation and Herzberg–Teller Effects: Formalism and Its Realistic Applications
      Ma, Huili and Liu, Jie and Liang, WanZhen
      Journal of Chemical Theory and Computation, 2012, 8, 4474--4482, 11
      http://pubs.acs.org/doi/abs/10.1021/ct300640c
      分区:2
    25. Article: Carbon dioxide capture by aminoalkyl imidazolium-based ionic liquid: a computational investigation
      Chen, Jie-Jie and Li, Wen-Wei and Li, Xue-Liang and Yu, Han-Qing
      Physical Chemistry Chemical Physics, 2012, 14, 4589--4596, 13
      http://pubs.rsc.org/en/content/articlehtml/2012/cp/c2cp23642g
      分区:2
    26. Article: Diamondization of chemically functionalized graphene and graphene–BN bilayers
      Yuan, Long and Li, Zhenyu and Yang, Jinlong and Hou, Jian Guo
      Physical Chemistry Chemical Physics, 2012, 14, 8179--8184, 22
      http://pubs.rsc.org/en/content/articlehtml/2012/cp/c2cp40635g
      分区:2
    27. Article: The positive influence of boron-doped graphene for its supported Au clusters: enhancement of SERS and oxygen molecule adsorption
      Kong, Xiangkai and Sun, Zhiyuan and Chen, Qianwang
      Physical Chemistry Chemical Physics, 2012, 14, 13564--13568, 39
      http://pubs.rsc.org/en/content/articlehtml/2012/cp/c2cp42297b
      分区:2
    28. Article: Effects of surface structure and Ag–Sb nanodots on electronic properties of PbTe (100) facets from first-principles calculations
      Wang, Xiaoguang and Liu, Jing and Peng, Liangming
      Scripta Materialia, 2012, 67, 17--20, 1
      http://www.sciencedirect.com/science/article/pii/S135964621200173X
      分区:2
    29. Article: Performance simulation of a parabolic trough solar collector
      Huang, Weidong and Hu, Peng and Chen, Zeshao
      Solar Energy, 2012, 86, 746--755, 2
      http://www.sciencedirect.com/science/article/pii/S0038092X11004294
      分区:2
    30. Article: Theoretical analysis of error transfer from the surface slope to the reflected ray and their application in the solar concentrated collector
      Huang, Weidong and Han, Zhengfu
      Solar Energy, 2012, 86, 2592--2599, 9
      http://www.sciencedirect.com/science/article/pii/S0038092X12002071
      分区:2
    31. Article: A theoretical study on the structural and energy spectral properties of Ce3+ ions doped in various fluoride compounds
      Wen, Jun and Ning, Lixin and Duan, Chang-Kui and Chen, Yonghu and Zhang, Yongfan and Yin, Min
      The Journal of Physical Chemistry C, 2012, 116, 20513--20521, 38
      http://pubs.acs.org/doi/abs/10.1021/jp306357d
      分区:2
    32. Article: Electronic structure and spin polarization of metal (Mn, Fe, Cu) phthalocyanines on an Fe (100) surface by first-principles calculations
      Sun, X and Wang, B and Yamauchi, Y
      The Journal of Physical Chemistry C, 2012, 116, 18752--18758, 35, ACS Publications
      分区:2
    33. Article: Linear band-gap modulation of graphane nanoribbons under uniaxial elastic strain: a density functional theory study
      Zhang, Yan and Wu, Xiaojun and Li, Qunxiang and Yang, Jinlong
      The Journal of Physical Chemistry C, 2012, 116, 9356--9359, 16
      http://pubs.acs.org/doi/abs/10.1021/jp301691z
      分区:2
    34. Article: Spin splitting in a nickel phthalocyanine molecule on an Fe (100) surface by first-principles calculations
      Sun, X and Wang, B and Yamauchi, Y
      The Journal of Physical Chemistry C, 2012, 116, 10976--10981, 20, ACS Publications
      分区:2
    35. Article: Structural features and electronic properties of MgO nanosheets and nanobelts
      Zhang, Y. G. and He, H. Y. and Pan, B. C.
      The Journal of Physical Chemistry C, 2012, 116, 23130--23135, 43
      http://pubs.acs.org/doi/abs/10.1021/jp3077062
      分区:2
    36. Article: Tunable magnetism in a nonmetal-substituted ZnO Monolayer: a first-principles study
      Guo, Hongyan and Zhao, Yu and Lu, Ning and Kan, Erjun and Zeng, Xiao Cheng and Wu, Xiaojun and Yang, Jinlong
      The Journal of Physical Chemistry C, 2012, 116, 11336--11342, 20
      http://pubs.acs.org/doi/abs/10.1021/jp2125069
      分区:2
    37. Article: Why the band gap of graphene is tunable on hexagonal boron nitride
      Kan, Erjun and Ren, Hao and Wu, Fang and Li, Zhenyu and Lu, Ruifeng and Xiao, Chuanyun and Deng, Kaiming and Yang, Jinlong
      The Journal of Physical Chemistry C, 2012, 116, 3142--3146, 4
      http://pubs.acs.org/doi/abs/10.1021/jp2106988
      分区:2
    38. Article: High-Pressure Phase Favored by a Symmetry-Recognized Nanoconfinement Effect
      Wang, Shengnan and Yin, Di and Li, Zhenyu and Yang, Jinlong
      The Journal of Physical Chemistry Letters, 2012, 3, 2154--2158, 16
      http://pubs.acs.org/doi/abs/10.1021/jz3007047
      分区:2
    39. Article: Substituent effect on the π linkers in triphenylamine dyes for sensitized solar cells: a DFT/TDDFT study
      Xu, Jie and Zhu, Ligen and Fang, Dong and Chen, Biao and Liu, Li and Wang, Luoxin and Xu, Weilin
      ChemPhysChem, 2012, 13, 3320--3329, 14
      http://onlinelibrary.wiley.com/doi/10.1002/cphc.201200273/full
      分区:3
    40. Article: Theoretical Investigation on SERS of Pyridine Adsorbed on Cn Clusters Induced by Charge Transfer: A Hint that SERS Could be Applied on Many Materials
      Kong, Xiangkai and Chen, Qianwang and Li, Ran and Cheng, Kai and Yan, Nan and Chen, Jian and Zhou, Yumei
      ChemPhysChem, 2012, 13, 1449--1453, 6
      http://onlinelibrary.wiley.com/doi/10.1002/cphc.201200058/full
      分区:3
    41. Article: Low-frequency waves in magnetic reconnection
      Chai, LiHui and Li, Yi and Wang, Shui and Shen, Chao
      Chinese Science Bulletin, 2012, 57, 1461--1466, 12, Springer
      分区:3
    42. Article: Effect of violating the traffic light rule in the Biham-Middleton-Levine traffic flow model
      Ding, Zhong-Jun and Jiang, Rui and Li, Ming and Li, Qi-Lang and Wang, Bing-Hong
      Europhysics Letters, 2012, 99, 68002, 6
      http://iopscience.iop.org/0295-5075/99/6/68002
      分区:3
    43. Article: Energy-level alignment at the Alq3/Fe3O4 (001) interface
      Pratt, A and Dunne, L and Sun, X and Kurahashi, M and Yamauchi, Y
      Journal of Applied Physics, 2012, 111, 07C114, 7, AIP Publishing
      分区:3
    44. Article: Monte Carlo modeling of surface excitation in reflection electron energy loss spectroscopy spectrum for rough surfaces
      Da, B. and Mao, S. F. and Zhang, G. H. and Wang, X. P. and Ding, Z. J.
      Journal of Applied Physics, 2012, 112, 034310, 3
      http://scitation.aip.org/content/aip/journal/jap/112/3/10.1063/1.4739491
      分区:3
    45. Article: Identification and structural basis for a novel interaction between Vav2 and Arap3
      Wu, Bo and Wang, Fengsong and Zhang, Jiahai and Zhang, Zhiyong and Qin, Liying and Peng, Junhui and Li, Fudong and Liu, Jianping and Lu, Guowei and Gong, Qingguo and others
      Journal of structural biology, 2012, 180, 84--95, 1, Elsevier
      分区:3
    46. Article: Specific recognition of phosphorylated tail of H2AX by the tandem BRCT domains of MCPH1 revealed by complex structure
      Shao, Zhenhua and Li, Fudong and Sy, Shirley M-H and Yan, Wei and Zhang, Zhiyong and Gong, Deshun and Wen, Bin and Huen, Michael SY and Gong, Qingguo and Wu, Jihui and others
      Journal of structural biology, 2012, 177, 459--468, 2, Elsevier
      分区:3
    47. Article: Weakening interaction suppresses spontaneous symmetry breaking in two-channel asymmetric exclusion processes
      Zhu, Kai-Xuan and Wang, Nian and Hao, Qing-Yi and Liu, Qi-Yi and Jiang, Rui
      Physical Review E, 2012, 85, 041132, 4, APS
      分区:3
    48. Article: Monte Carlo simulation of secondary electron images for real sample structures in scanning electron microscopy
      Zhang, P. and Wang, H. Y. and Li, Y. G. and Mao, S. F. and Ding, Z. J.
      Scanning, 2012, 34, 145--150, 3
      http://onlinelibrary.wiley.com/doi/10.1002/sca.20288/full
      分区:3
    49. Article: Probing ligand-binding modes and binding mechanisms of benzoxazole-based amide inhibitors with soluble epoxide hydrolase by molecular docking and molecular dynamics simulation
      Chen, Hang and Zhang, Ying and Li, Liang and Han, Ju-Guang
      The Journal of Physical Chemistry B, 2012, 116, 10219--10233, 34
      http://pubs.acs.org/doi/abs/10.1021/jp304736e
      分区:3
    50. Article: Geometries, electronic and magnetic properties of hafnium clusters: A density functional calculation
      Zhao, Run-Ning and Han, Ju-Guang and Sheng, Liu-Si
      Thin Solid Films, 2012, 520, 2178--2183, 6
      http://www.sciencedirect.com/science/article/pii/S0040609011018852
      分区:3
    51. Article: Origin of the Giant Negative Thermal Expansion in
      Qu, B. Y. and He, H. Y. and Pan, B. C.
      Advances in Condensed Matter Physics, 2012, 2012, 0
      http://www.hindawi.com/journals/acmp/2012/913168/abs/
      分区:4
    52. Article: A theoretical study of spin-polarized transport properties of planar four-coordinate Fe complexes
      Huang, Jing and Wang, Weiyi and Yang, Shangfeng and Su, Haibin and Li, Qunxiang and Yang, Jinlong
      Chemical Physics Letters, 2012, 539, 102--106, 0
      http://www.sciencedirect.com/science/article/pii/S000926141200560X
      分区:4
    53. Article: Transport spin polarization of magnetic C 28 molecular junctions
      Xu, Ke and Huang, Jing and Guan, Zhaoyong and Li, Qunxiang and Yang, Jinlong
      Chemical Physics Letters, 2012, 535, 111--115, 0
      http://www.sciencedirect.com/science/article/pii/S0009261412003922
      分区:4
    54. Article: Absorption and structural property of ethanol/water mixture with carbon nanotubes
      Du, Sheng-ping and Zhao, Wen-hui and Yuan, Lan-feng
      Chinese Journal of Chemical Physics, 2012, 25, 487--493, 4
      http://scitation.aip.org/content/cps/journal/cjcp/25/4/10.1088/1674-0068/25/04/487-493
      分区:4
    55. Article: Density Functional Theory Investigation of Structures and Electronic Spectra of N-protonated Corroles
      Gao, Hui-ling and Yao, Guo-hua and Chen, Fang and Wang, Wen-lou and Chen, Dong-ming
      Chinese Journal of Chemical Physics, 2012, 25, 281--290, 3
      http://scitation.aip.org/content/cps/journal/cjcp/25/3/10.1088/1674-0068/25/03/281-290
      分区:4
    56. Article: First-principles Study of Adsorption and Dissociation of Methanol on the Pt (100) Surface
      Wang, Zhuo and Kan, Er-jun and Yang, Jin-long
      Chinese Journal of Chemical Physics, 2012, 25, 199--203, 2
      http://scitation.aip.org/content/cps/journal/cjcp/25/2/10.1088/1674-0068/25/02/199-203
      分区:4
    57. Article: First-principles Study of Geometric and Electronic Structures of Si (111)-√ 7$ extbackslashtimes$√ 3-In Surface Reconstruction
      Shang, Bo and Yuan, Lan-feng and Yang, Jin-long
      Chinese Journal of Chemical Physics, 2012, 25, 403--408, 4
      http://scitation.aip.org/content/cps/journal/cjcp/25/4/10.1088/1674-0068/25/04/403-408
      分区:4
    58. Article: Graphdiyne as hydrogen purification membrane
      Zhao, Wen-hui and Yuan, Lan-feng and Yang, Jin-long
      Chinese Journal of Chemical Physics, 2012, 25, 434--440, 4
      http://scitation.aip.org/content/cps/journal/cjcp/25/4/10.1088/1674-0068/25/04/434-440
      分区:4
    59. Article: First-principles study of the local structure and crystal field of Yb2+ in sodium and potassium halides
      Jun, Wen and Chang-Kui, Duan and Min, Yin and Orlovskii, Yu V and Shang-Da, Xia and Yong-Fan, Zhang
      Chinese Physics B, 2012, 21, 037102, 3, IOP Publishing
      分区:4
    60. Article: Multiple Modes of Filament Flapping in a Uniform Flow
      Hao-Tian, Gao and Feng-Hua, Qin and Wei-Xi, Huang and De-Jun, Sun
      Chinese Physics Letters, 2012, 29, 094702, 9, IOP Publishing
      分区:4
    61. Article: Origin of regioselectivity of Ni-catalyzed N-butenyl-substituted imidazolium salt annulation reaction: A theoretical study
      Wang, Chen and Li, Fang and Qi, Chenze
      Computational and Theoretical Chemistry, 2012, 986, 71--78, 0
      http://www.sciencedirect.com/science/article/pii/S2210271X12000904
      分区:4
    62. Article: A Parallel NURBS-based Isogeometric Analysis Framework on Multi-core CPUs
      (顾乃杰)
      Journal of Computational Information Systems, 2012, 0
      分区:4
    63. Article: The impact of Trichoderma reesei Cel7A carbohydrate binding domain mutations on its binding to a cellulose surface: a molecular dynamics free energy study
      Li, Tong and Yan, Shihai and Yao, Lishan
      Journal of molecular modeling, 2012, 18, 1355--1364, 4
      http://link.springer.com/article/10.1007/s00894-011-1167-4
      分区:4
    64. Article: Photoionization and dissociation study of p-nitrotoluene: Experimental and theoretical insights
      Zhang, Qiang and Fang, Wenzheng and Xie, Yang and Cao, Maoqi and Zhao, Yujie and Shan, Xiaobin and Liu, Fuyi and Wang, Zhenya and Sheng, Liusi
      Journal of Molecular Structure, 2012, 1020, 105--111, 0
      http://www.sciencedirect.com/science/article/pii/S0022286012002955
      分区:4
    65. Article: Mechanism of palladium-catalyzed decarboxylative cross-coupling between cyanoacetate salts and aryl halides
      Jiang, YuanYe and Fu, Yao and Liu, Lei
      Science China Chemistry, 2012, 1--6, 0, Springer
      分区:4
    66. Article: A Monte Carlo Study of Spin Polarization of Secondary Electrons
      (丁泽军)S.F. Mao, X. Sun, X.W. Fang, B. Da and Z.J. Ding
      Surface and Interface Analysis, 2012, 44, 703, 0
      分区:4
    67. Article: Influence of surface roughness on elastically backscattered electrons
      Da, B. and Mao, S. F. and Zhang, G. H. and Wang, X. P. and Ding, Z. J.
      Surface and Interface Analysis, 2012, 44, 647--652, 6
      http://onlinelibrary.wiley.com/doi/10.1002/sia.4807/full
      分区:4
    68. Article: 铬族金属氢化物中 MH 键键能的从头计算
      唐诗雅 and 傅尧 and 郭庆祥
      化学学报, 2012, 70, 1923--1929, 18
      http://sioc-journal.cn/Jwk_hxxb/CN/article/downloadArticleFile.do?attachType=PDF&id=341580
      分区:4
    69. InProceedings: Design and Implement of Auto-Scaling System Based on Eucalyptus Cloud-Computing Platform
      Wang, Wei Wei and Li, Jing and Guo, Yuan Yuan and Song, Hu and Liu, Xin Chun
      Advanced Materials Research, 2012, 546, 1433--1438, 0, Trans Tech Publ
      http://www.scientific.net/AMR.546-547.1433
    70. InProceedings: Design and implementation of mobile widget composition framework and tool for end-user
      Zhou, Rui and Meng, Haiyan and Liu, Xinchun and Hu, Shu and Li, Jing and Rao, Jinghai and Chen, Canfeng
      Computing Technology and Information Management (ICCM), 2012 8th International Conference on, 2012, 2, 767--770, 0, IEEE
      http://ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=6268604
    71. InProceedings: IdleCached: an idle resource cached dynamic scheduling algorithm in cloud computing
      Song, Hu and Li, Jing and Liu, Xinchun
      Ubiquitous Intelligence & Computing and 9th International Conference on Autonomic & Trusted Computin, 2012, 912--917, 0, IEEE
      http://ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=6332105
    72. Article: A New Analytical Method in Surface Electron Spectroscopy: Reverse Monte Carlo Method
      Da, B and Mao, SF and Sun, Y and Ding, ZJ
      e-Journal of Surface Science and Nanotechnology, 2012, 10, 441--446, 0, 公益社団法人 日本表面科学会
    73. Article: Fully Homomorphic Encryption, Approximate Lattice Problem and LWE
      Chunsheng, Gu
      International Journal of Cloud Computing and Services Science (IJ-CLOSER), 2012, 2, 1--15, 1
    74. Article: The conductive path in HfO2: first principles study
      Maoxiu, Zhou and Qiang, Zhao and Wei, Zhang and Qi, Liu and Yuehua, Dai
      Journal of Semiconductors, 2012, 33, 072002, 7
      http://iopscience.iop.org/1674-4926/33/7/072002
    75. Article: Azide Addition to an Endohedral Metallofullerene: Formation of Azafulleroids of Sc3N@Ih-C80
      Liu, Tong-Xin and Wei, Tao and Zhu, San-E and Wang, Guan-Wu and Jiao, Mingzhi and Yang, Shangfeng and Bowles, Faye L and Olmstead, Marilyn M and Balch, Alan L
      Journal of the American Chemical Society, 2012, 00, 0
      分区:1
    76. Article: Quantum Factorization of 143 on a Dipolar-Coupling Nuclear Magnetic Resonance System
      Xu, Nanyang and Zhu, Jing and Lu, Dawei and Zhou, Xianyi and Peng, Xinhua and Du, Jiangfeng
      Physical Review Letters, 2012, 03, 0
      分区:1
    77. Article: Small-number effects: A third stable state in a genetic bistable toggle switch
      Ma, Rui and Wang, Jichao and Hou, Zhonghuai and Liu, Haiyan
      Physical Review Letters, 2012, 10, 0
      分区:1
    78. Article: Deriving Effective Energy Loss Function for Silver from XPS Spectrum
      Tang, T and Zhang, ZM and Ding, ZJ and Yoshikawa, H
      Physics Procedia, 2012, 32, 165--172, 0, Elsevier
    79. Article: Optimized grid-based protein--protein docking as a global search tool followed by incorporating experimentally derivable restraints
      Huang, Wei and Liu, Haiyan
      Proteins: Structure, Function, and Bioinformatics, 2012, 80, 691--702, 3, Wiley Online Library
    80. Article: Unimpeded Permeation of Water Through Helium-Leak-Tight Graphene-Based Membranes
      Nair, RR and Wu, HA and Jayaram, PN and Grigorieva, IV and Geim, AK
      SCIENCE, 2012, 01, 0
      分区:1
    81. Article: The effects of initial perturbation to mixing-layer noise
      Zhou, Lin and Wan, Zhenhua and Sun, Dejun and Wei, Mingjun
      Theoretical and Applied Mechanics Letters, 2012, 2, 032003, 3
      http://scitation.aip.org/content/cstam/journal/taml/2/3/10.1063/2.1203203
    82. Article: Promotion of microbial extracellular electron transfer by choosing appropriate phenazine-type redox mediators: Theoretical and experimental investigations(受超算中心支持)
      (俞汉青)
      under review, 2012, 0
    83. Article: 基于 WCCN 和余弦评分的话者确认研究
      丁聪敏 and 唐建 and 郭立
      中国科学技术大学学报, 2012, 10, 007, 0
    84. Article: 破解较快速的整数上的全同态加密方案
      古春生 and 景征骏 and 于志敏
      计算机工程与应用, 2012, 2127, 0

    2011年:27篇

    1. Article: Experimental and theoretical investigations on the negative influence of an applied magnetic field on SERS of Ag nanoparticles
      Kong, Xiangkai and Chen, Qianwang and Li, Ran and Cheng, Kai and Yan, Nan and Yu, Binxing
      Chemical Communications, 2011, 47, 11237--11239, 40
      http://pubs.rsc.org/en/content/articlehtml/2011/cc/c1cc14061b
      分区:2
    2. Article: STM studies of single molecules: molecular orbital aspects
      Li, Bin and Li, Zhenyu and Yang, Jinlong and Hou, J. G.
      Chemical Communications, 2011, 47, 2747--2762, 10
      http://pubs.rsc.org/en/content/articlehtml/2011/cc/c0cc03021j
      分区:2
    3. Article: Hiyama Cross-Coupling of Arenediazonium Salts under Mild Reaction Conditions
      Cheng, Kai and Wang, Chen and Ding, Yiyuan and Song, Qingbao and Qi, Chenze and Zhang, Xian-Man
      The Journal of organic chemistry, 2011, 76, 9261--9268, 22
      http://pubs.acs.org/doi/abs/10.1021/jo201437j
      分区:2
    4. Article: Mechanistic Origin of Ligand-Controlled Regioselectivity in Pd-Catalyzed C H Activation/Arylation of Thiophenes
      Tang, Shi-Ya and Guo, Qing-Xiang and Fu, Yao
      Chemistry-A European Journal, 2011, 17, 13866--13876, 49
      http://onlinelibrary.wiley.com/doi/10.1002/chem.201101587/full
      分区:2
    5. Article: Hydride Dissociation Energies of Six-Membered Heterocyclic Organic Hydrides Predicted by ONIOM-G4Method
      Shi, Jing and Huang, Xiong-Yi and Wang, Hua-Jing and Fu, Yao
      Journal of chemical information and modeling, 2011, 52, 63--75, 1, ACS Publications
      分区:2
    6. Article: A First Principles Study on the Dissociation and Rotation Processes of a Single O2 Molecule on the Pt (111) Surface
      Fu, Qiang and Yang, Jinlong and Luo, Yi
      The Journal of Physical Chemistry C, 2011, 115, 6864--6869, 14
      http://pubs.acs.org/doi/abs/10.1021/jp200687t
      分区:2
    7. Article: Are Azafullerene Encapsulated Single-Walled Carbon Nanotubes n-Type Semiconductors?
      Ni, Shuang and He, Wei and Li, Zhenyu and Yang, Jinlong
      The Journal of Physical Chemistry C, 2011, 115, 12760--12762, 26
      http://pubs.acs.org/doi/abs/10.1021/jp2017874
      分区:2
    8. Article: First-principles thermodynamics of graphene growth on Cu surfaces
      Zhang, Wenhua and Wu, Ping and Li, Zhenyu and Yang, Jinlong
      The Journal of Physical Chemistry C, 2011, 115, 17782--17787, 36
      http://pubs.acs.org/doi/abs/10.1021/jp2006827
      分区:2
    9. Article: Half-metallic Dirac point in B-edge hydrogenated BN nanoribbons
      Kan, Erjun and Wu, Fang and Xiang, Hongjun and Yang, Jinlong and Whangbo, Myung-Hwan
      The Journal of Physical Chemistry C, 2011, 115, 17252--17254, 35
      http://pubs.acs.org/doi/abs/10.1021/jp2015269
      分区:2
    10. Article: Half-metallicity in hybrid graphene/boron nitride nanoribbons with dihydrogenated edges
      Liu, Yuling and Wu, Xiaojun and Zhao, Yu and Zeng, Xiao Cheng and Yang, Jinlong
      The Journal of Physical Chemistry C, 2011, 115, 9442--9450, 19, ACS Publications
      分区:2
    11. Article: Structure of graphene oxide: thermodynamics versus kinetics
      Lu, Ning and Yin, Di and Li, Zhenyu and Yang, Jinlong
      The Journal of Physical Chemistry C, 2011, 115, 11991--11995, 24
      http://pubs.acs.org/doi/abs/10.1021/jp204476q
      分区:2
    12. Article: Theoretical Prediction of hydrogen storage on ZnO sheet
      Si, H. and Peng, L. J. and Morris, James R. and Pan, B. C.
      The Journal of Physical Chemistry C, 2011, 115, 9053--9058, 18
      http://pubs.acs.org/doi/abs/10.1021/jp111394v
      分区:2
    13. Article: The elastic properties of Mn3 (Cu1- xGex) N compounds
      Qu, B. Y. and He, H. Y. and Pan, B. C.
      AIP Advances, 2011, 1, 042125, 4
      http://scitation.aip.org/content/aip/journal/adva/1/4/10.1063/1.3658025
      分区:3
    14. Article: The dynamical process of the phase transition from VO2 (M) to VO2 (R)
      Qu, B. Y. and He, H. Y. and Pan, B. C.
      Journal of Applied Physics, 2011, 110, 113517, 11
      http://scitation.aip.org/content/aip/journal/jap/110/11/10.1063/1.3665640
      分区:3
    15. Article: Green Eu 2+-doped Ba 3 Si 6 O 12 N 2 phosphor for white light-emitting diodes: Synthesis, characterization and theoretical simulation
      Tang, JiaYe and Chen, JunHua and Hao, LuYuan and Xu, Xin and Xie, WenJie and Li, QunXiang
      Journal of Luminescence, 2011, 131, 1101--1106, 6
      http://www.sciencedirect.com/science/article/pii/S0022231311000408
      分区:3
    16. Article: Theoretical study of the new compound VO 2 (D)
      Qu, B. Y. and Liu, Liang and Xie, Y. and Pan, B. C.
      Physics Letters A, 2011, 375, 3474--3477, 39
      http://www.sciencedirect.com/science/article/pii/S0375960111009480
      分区:3
    17. Article: On the electronic structures and electron affinities of the m-benzoquinone (BQ) diradical and the o-, p-BQ molecules: a synergetic photoelectron spectroscopic and theoretical study
      Fu, Qiang and Yang, Jinlong and Wang, Xue-Bin
      The Journal of Physical Chemistry A, 2011, 115, 3201--3207, 15, ACS Publications
      分区:3
    18. Article: Anionic Production Pathways Involved in the Reaction between OH-and CH2ClF
      SONG, Lei and YU, Feng and WU, Li-Xia and ZHOU, Xiao-Guo and LIU, Shi-Lin
      Acta Physico-Chimica Sinica, 2011, 27, 801--807, 4
      http://www.ingentaconnect.com/content/apcs/apcs/2011/00000027/00000004/art00008
      分区:4
    19. Article: OH-与 CH2ClF 反应的阴离子产物通道
      宋磊 and 于锋 and 吴琍霞 and 周晓国 and 刘世林
      Acta Physico-Chimica Sinica, 2011, 27, 1, 0
      http://www.whxb.pku.edu.cn/CN/article/downloadArticleFile.do?attachType=PDF&id=27470
      分区:4
    20. Article: Nearly Free Electron State in Graphane Nanoribbon Superlattice
      Qiao-hong Liu and Zhen-yu Li and Jin-long Yang
      Chinese Journal of Chemical Physics, 2011, 24, 22, 1
      http://stacks.iop.org/1674-0068/24/i=1/a=05
      分区:4
    21. Article: A computational study of C S bond dissociation enthalpies in petroleum chemistry
      Shi, Jing and Hu, Xi-Rui and Liang, Shuang
      Heteroatom Chemistry, 2011, 22, 97--105, 2, Wiley Online Library
      分区:4
    22. Article: A computational study of C X (X= H, C, F, Cl) bond dissociation enthalpies (BDEs) in polyhalogenated methanes and ethanes
      Shi, Jing and He, Jian and Wang, Hua-Jing
      Journal of Physical Organic Chemistry, 2011, 24, 65--73, 1, Wiley Online Library
      分区:4
    23. InProceedings: Performance optimization of Top-k queries on GPU
      Luo, Tao and Sun, Guang-Zhong and Chen, Guoliang
      Parallel Architectures, Algorithms and Programming (PAAP), 2011 Fourth International Symposium on, 2011, 9--13, 0, IEEE
      http://ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=6128467
    24. Article: Tunable band gap of graphane nanoribbons under uniaxial elastic strain: a first-principles study
      Zhang, Yan and Wu, Xiaojun and Li, Qunxiang and Yang, Jinlong
      arXiv preprint arXiv:1111.6336, 2011, 0
      http://arxiv.org/abs/1111.6336
    25. Article: Diamondization of Graphene and Graphene-BN Bilayers: Chemical Functionalization and Electronic Structure Engineering
      Yuan, Long and Li, Zhenyu and Yang, Jinlong and Hou, Jian Guo
      arXiv preprint arXiv:1112.4984, 2011, 0
      http://arxiv.org/abs/1112.4984
    26. Article: Atomistic Mechanisms of Nonlinear Graphene Growth on Ir Surface
      Wu, Ping and Jiang, Huijun and Zhang, Wenhua and Li, Zhenyu and Hou, Zhonghuai and Yang, Jinlong
      arXiv preprint arXiv:1112.5698, 2011, 0
      http://arxiv.org/abs/1112.5698
    27. Article: First-principle investigation of the electronic and magnetic properties of PbMn (SO 4) 2
      Wu, Fang and Kan, Er-jun and Li, Zhen-yu
      Frontiers of Physics in China, 2011, 6, 96--99, 0
      http://link.springer.com/article/10.1007/s11467-010-0154-z

    2010年:19篇

    1. Article: Single-molecule chemistry of metal phthalocyanine on noble metal surfaces
      Li, Zhenyu and Li, Bin and Yang, Jinlong and Hou, Jian Guo
      Accounts of Chemical Research, 2010, 43, 954--962, 7
      http://pubs.acs.org/doi/abs/10.1021/ar9001558
      分区:1
    2. Article: Noncovalent functionalization of BN nanotubes with perylene derivative molecules: an ab initio study
      Gou, Gaoyang and Pan, Bicai and Shi, Lei
      Acs Nano, 2010, 4, 1313--1320, 3
      http://pubs.acs.org/doi/abs/10.1021/nn900872t
      分区:1
    3. Article: Ferroelectricity in Perovskites with s0 A-Site Cations: Toward Near-Room-Temperature Multiferroics
      Kan, Erjun and Xiang, Hongjun and Lee, Changhoon and Wu, Fang and Yang, Jinlong and Whangbo, Myung-Hwan
      Angewandte Chemie International Edition, 2010, 49, 1603--1606, 9
      http://onlinelibrary.wiley.com/doi/10.1002/anie.200905997/full
      分区:1
    4. Article: Nearly Free Electron Superatom States of Carbon and Boron Nitride Nanotubes
      Hu, Shuanglin and Zhao, Jin and Jin, Yingdi and Yang, Jinlong and Petek, Hrvoje and Hou, J. G.
      Nano letters, 2010, 10, 4830--4838, 12
      http://pubs.acs.org/doi/abs/10.1021/nl1023854
      分区:1
    5. Article: Ferrimagnetism in zigzag graphene nanoribbons induced by main-group adatoms
      Kan, Erjun and Xiang, Hongjun and Wu, Fang and Lee, Changhoon and Yang, Jinlong and Whangbo, Myung-Hwan
      Applied Physics Letters, 2010, 96, 102503, 10
      http://www.researchgate.net/profile/Erjun_Kan/publication/230695413_Ferrimagnetism_in_zigzag_graphene_nanoribbons_induced_by_main-group_adatoms/links/09e415032e2176f302000000.pdf
      分区:2
    6. Article: Prediction for room-temperature half-metallic ferromagnetism in the half-fluorinated single layers of BN and ZnO
      Kan, E. J. and Xiang, H. J. and Wu, F. and Tian, C. and Lee, C. and Yang, J. L. and Whangbo, M.-H.
      Applied Physics Letters, 2010, 97, 122503, 12
      http://scitation.aip.org/content/aip/journal/apl/97/12/10.1063/1.3491416
      分区:2
    7. Article: On the Scattering Enhancement of N? V? 1240 Emission Line of Quasi-stellar Objects
      Wang, Huiyuan and Wang, Tinggui and Yuan, Weimin and Wang, Junxian and Dong, Xiaobo and Zhou, Hongyan
      The Astrophysical Journal, 2010, 710, 78, 1
      http://iopscience.iop.org/0004-637X/710/1/78
      分区:2
    8. Article: Communication: Coalescence of carbon atoms on Cu (111) surface: Emergence of a stable bridging-metal structure motif
      Wu, Ping and Zhang, Wenhua and Li, Zhenyu and Yang, Jinlong and Hou, Jian Guo
      The Journal of chemical physics, 2010, 133, 071101, 7
      http://scitation.aip.org/content/aip/journal/jcp/133/7/10.1063/1.3473045
      分区:2
    9. Article: Identifying configuration and orientation of adsorbed molecules by inelastic electron tunneling spectra
      Ren, Hao and Yang, Jinlong and Luo, Yi
      The Journal of chemical physics, 2010, 133, 064702, 6
      http://scitation.aip.org/content/aip/journal/jcp/133/6/10.1063/1.3474807
      分区:2
    10. Article: Boron K 4 crystal: a stable chiral three-dimensional sp 2 network
      Dai, Jun and Li, Zhenyu and Yang, Jinlong
      Physical Chemistry Chemical Physics, 2010, 12, 12420--12422, 39
      http://pubs.rsc.org/en/content/articlehtml/2010/cp/c0cp00735h
      分区:2
    11. Article: Single-stranded DNA adsorption on chiral molecule coated Au surface: a molecular dynamics study
      Liang, Haiqing and Li, Zhenyu and Yang, Jinlong
      Physical Chemistry Chemical Physics, 2010, 12, 4431--4434, 17
      http://pubs.rsc.org/en/content/articlehtml/2010/cp/b923012b
      分区:2
    12. Article: Understanding the concept of randomness in inelastic electron tunneling excitations
      Fu, Qiang and Luo, Yi and Yang, Jinlong and Hou, Jianguo
      Physical Chemistry Chemical Physics, 2010, 12, 12012--12023, 38
      http://pubs.rsc.org/en/content/articlehtml/2010/cp/b926310a
      分区:2
    13. Article: Electronic, magnetic, and transport properties of Fe-COT clusters: A theoretical study
      Huang, Jing and Li, Qunxiang and Xu, Ke and Su, Haibin and Yang, Jinlong
      The Journal of Physical Chemistry C, 2010, 114, 11946--11950, 27
      http://pubs.acs.org/doi/abs/10.1021/jp101554c
      分区:2
    14. Article: Strain-induced semiconducting-metallic transition for ZnO zigzag nanoribbons
      Si, H. and Pan, B. C.
      Journal of Applied Physics, 2010, 107, 094313, 9
      http://scitation.aip.org/content/aip/journal/jap/107/9/10.1063/1.3374684
      分区:3
    15. Article: Ab Initio Prediction of Amorphous B84
      Shang, Bo and Yuan, Lan-Feng and Zeng, Xiao Cheng and Yang, Jinlong
      The Journal of Physical Chemistry A, 2010, 114, 2245--2249, 6
      http://pubs.acs.org/doi/abs/10.1021/jp907976y
      分区:3
    16. Article: Electron-phonon coupling in Gallium-doped Germanium
      Jun, Dai and Zhen-Yu, Li and Jin-Long, Yang
      Chinese Physics Letters, 2010, 27, 086102, 8
      http://iopscience.iop.org/0256-307X/27/8/086102
      分区:4
    17. Article: Dynamic reaction pathways of anionic products on the exit-channel potential energy surface for the reaction of O- with C 2 H 4
      Yu, Feng and Wu, Lixia and Song, Lei and Zhou, Xiaoguo and Liu, Shilin
      Journal of Molecular Structure: Theochem, 2010, 958, 41--47, 1
      http://www.sciencedirect.com/science/article/pii/S016612801000477X
      分区:4
    18. InProceedings: Efficient parallel top-k computation algorithm using symmetry breaking
      Wu, Chao and Sun, Guang-zhong and Chen, Guo-liang
      Parallel and Distributed Processing with Applications (ISPA), 2010 International Symposium on, 2010, 231--235, 0, IEEE
      http://ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=5634337
    19. Article: Rotation and dissociation dynamics of a single O2 molecule on the Pt (111) surface determined from a first principles study
      Fu, Qiang and Yang, Jinlong and Luo, Yi
      arXiv preprint arXiv:1010.5697, 2010, 0
      http://arxiv.org/abs/1010.5697

    2009年:23篇

    1. Article: How graphene is cut upon oxidation?
      Li, Zhenyu and Zhang, Wenhua and Luo, Yi and Yang, Jinlong and Hou, Jian Guo
      Journal of the American Chemical Society, 2009, 131, 6320--6321, 18
      http://pubs.acs.org/doi/abs/10.1021/ja8094729
      分区:1
    2. Article: The nature of radiative transitions in o-doped boron nitride nanotubes
      Gou, Gaoyang and Pan, Bicai and Shi, Lei
      Journal of the American Chemical Society, 2009, 131, 4839--4845, 13
      http://pubs.acs.org/doi/abs/10.1021/ja809550u
      分区:1
    3. Article: Graphene nanoribbon as a negative differential resistance device
      Ren, Hao and Li, Qun-Xiang and Luo, Yi and Yang, Jinlong
      Applied Physics Letters, 2009, 94, 173110, 17
      http://scitation.aip.org/content/aip/journal/apl/94/17/10.1063/1.3126451
      分区:2
    4. Article: Magnetic states of zigzag graphene nanoribbons from first principles
      Wu, Fang and Kan, Erjun and Xiang, Hongjun and Wei, Su-Huai and Whangbo, Myung-Hwan and Yang, Jinlong
      Applied Physics Letters, 2009, 94, 223105, 22
      http://scitation.aip.org/content/aip/journal/apl/94/22/10.1063/1.3147854
      分区:2
    5. Article: Efficient organometallic spin filter based on Europium-cyclooctatetraene wire
      Xu, Ke and Huang, Jing and Lei, Shulai and Su, Haibin and Boey, Freddy YC and Li, Qunxiang and Yang, Jinlong
      The Journal of Chemical Physics, 2009, 131, 104704, 10
      http://scitation.aip.org/content/aip/journal/jcp/131/10/10.1063/1.3224175
      分区:2
    6. Article: Funnel hopping: Searching the cluster potential energy surface over the funnels
      Cheng, Longjiu and Feng, Yan and Yang, Jie and Yang, Jinlong
      The Journal of chemical physics, 2009, 130, 214112, 21
      http://scitation.aip.org/content/aip/journal/jcp/130/21/10.1063/1.3152121
      分区:2
    7. Article: Hydrogen in Ag-doped ZnO: theoretical calculations
      He, H. Y. and Hu, J. and Pan, B. C.
      The Journal of chemical physics, 2009, 130, 204516, 20
      http://scitation.aip.org/content/aip/journal/jcp/130/20/10.1063/1.3146793
      分区:2
    8. Article: Oxidation states of graphene: insights from computational spectroscopy
      Zhang, Wenhua and Carravetta, Vincenzo and Li, Zhenyu and Luo, Yi and Yang, Jinlong
      The Journal of Chemical Physics, 2009, 131, 244505, 24
      http://scitation.aip.org/content/aip/journal/jcp/131/24/10.1063/1.3276339
      分区:2
    9. Article: “Compressing liquid”: An efficient global minima search strategy for clusters
      Zhou, R. L. and Zhao, L. Y. and Pan, B. C.
      The Journal of Chemical Physics, 2009, 131, 034108, 3
      http://scitation.aip.org/content/aip/journal/jcp/131/3/10.1063/1.3176511
      分区:2
    10. Article: Chemical functionalization on planar polysilane and graphane
      Lu, Ning and Li, Zhenyu and Yang, Jinlong
      Journal of Physical Chemistry C, 2009, 113, 16741-16746, 0
      http://arxiv.org/abs/0904.4540
      分区:2
    11. Article: Reconstructing the cosmic density field with the distribution of dark matter haloes
      Wang, Huiyuan and Mo, H. J. and Jing, Y. P. and Guo, Yicheng and Van Den Bosch, Frank C. and Yang, Xiaohu
      Monthly Notices of the Royal Astronomical Society, 2009, 394, 398--414, 1
      http://mnras.oxfordjournals.org/content/394/1/398.short
      分区:2
    12. Article: A density functional study on cationic Au n Cu m+ clusters and their monocarbonyls
      Zhao, Yu and Li, Zhenyu and Yang, Jinlong
      Physical Chemistry Chemical Physics, 2009, 11, 2329--2334, 13
      http://pubs.rsc.org/en/content/articlehtml/2009/cp/b817806b
      分区:2
    13. Article: Electron Transport in Butane Molecular Wires with Different Anchoring Groups Containing N, S, and P: A First Principles Study
      Feng, X. Y. and Li, Zhenyu and Yang, Jinlong
      The Journal of Physical Chemistry C, 2009, 113, 21911--21914, 52
      http://pubs.acs.org/doi/abs/10.1021/jp908347s
      分区:2
    14. Article: Electronic structure engineering via on-plane chemical functionalization: a comparison study on two-dimensional polysilane and graphane
      Lu, Ning and Li, Zhenyu and Yang, Jinlong
      The Journal of Physical Chemistry C, 2009, 113, 16741--16746, 38
      http://pubs.acs.org/doi/abs/10.1021/jp904208g
      分区:2
    15. Article: First principles study on the geometric and electronic structures of the FeO/Pt (111) surface
      Zhang, Wenhua and Li, Zhenyu and Luo, Yi and Yang, Jinlong
      The Journal of Physical Chemistry C, 2009, 113, 8302--8305, 19
      http://pubs.acs.org/doi/abs/10.1021/jp810751j
      分区:2
    16. Article: Theoretical Study of H Diffusion Behavior and the Vibrational Properties of Li- H Complexes in ZnO
      Hu, J. and He, H. Y. and Pan, B. C.
      The Journal of Physical Chemistry C, 2009, 113, 11381--11384, 26
      http://pubs.acs.org/doi/abs/10.1021/jp8110106
      分区:2
    17. Article: Effects of nitrogen vacancies on transition-metal-doped GaN: An ab initio study
      Xu, B. and Pan, B. C.
      Journal of Applied Physics, 2009, 105, 103710, 10
      http://scitation.aip.org/content/aip/journal/jap/105/10/10.1063/1.3132092
      分区:3
    18. Article: Implementation of Exact Exchange with Numerical Atomic Orbitals
      Shang, Honghui and Li, Zhenyu and Yang, Jinlong
      The Journal of Physical Chemistry A, 2009, 114, 1039--1043, 2
      http://pubs.acs.org/doi/abs/10.1021/jp908836z
      分区:3
    19. Article: Transport properties through diarylethene derivatives between carbon nanotube electrodes: A theoretical study
      Huang, Jing and Li, Qunxiang and Su, Haibin and Yang, Jinlong
      Chemical Physics Letters, 2009, 479, 120--124, 1
      http://www.sciencedirect.com/science/article/pii/S0009261409009701
      分区:4
    20. Article: First Principles Study on FeAs Single Layers
      Dai, Jun and Li, Zhen-yu and Yang, Jin-long
      Chinese Journal of Chemical Physics, 2009, 22, 139--142, 2
      http://scitation.aip.org/content/cps/journal/cjcp/22/2/10.1088/1674-0068/22/02/139-142
      分区:4
    21. Article: First-principles Study of Electron Transport Through Oligoacenes
      Pan, Zhen and Li, Qun-xiang and Shi, Qin-wei and Wang, Xiao-ping
      Chinese Journal of Chemical Physics, 2009, 22, 7--12, 1
      http://scitation.aip.org/content/cps/journal/cjcp/22/1/10.1088/1674-0068/22/01/7-12
      分区:4
    22. Article: A first-principles study on the electronic structure of one-dimensional [TM (Bz)]∞ polymer (TM= Y, Zr, Nb, Mo, and Tc)
      Tjornhammar, Richard and others
      Frontiers of Physics in China, 2009, 4, 403--407, 3
      http://link.springer.com/article/10.1007/s11467-009-0054-2
    23. Article: Chiral selective tunneling induced graphene nanoribbon switch
      Shi, Qin-wei and Wang, Zheng-fei and Li, Qun-xiang and Yang, Jin-long
      Frontiers of Physics in China, 2009, 4, 373--377, 0
      http://link.springer.com/article/10.1007/s11467-009-0027-5

    2008年:24篇

    1. Article: Half-metallicity in edge-modified zigzag graphene nanoribbons
      Kan, Er-jun and Li, Zhenyu and Yang, Jinlong and Hou, J. G.
      Journal of the American Chemical Society, 2008, 130, 4224--4225, 13
      http://pubs.acs.org/doi/abs/10.1021/ja710407t
      分区:1
    2. Article: A first principles study on organic molecules encapsulated BN nanotubes
      He, Wei and Li, Zhenyu and Yang, Jinlong and Hou, J. G.
      Journal of Chemical Physics, 2008, 128, 164701, 0
      http://arxiv.org/abs/0804.2165
      分区:2
    3. Article: A study of the size-dependent elastic properties of ZnO nanowires and nanotubes
      Hu, J. and Liu, X. W. and Pan, B. C.
      Nanotechnology, 2008, 19, 285710, 28
      http://iopscience.iop.org/0957-4484/19/28/285710
      分区:2
    4. Article: Interaction between gallium atoms and the inner walls of single-walled carbon nanotubes
      Xu, B. and Pan, B. C.
      Nanotechnology, 2008, 19, 075706, 7
      http://iopscience.iop.org/0957-4484/19/7/075706
      分区:2
    5. Article: Molecular dynamics simulations of the metallic behavior of the Si (001) surface at high temperatures
      Pan, B. C. and He, H. Y.
      Physical Review B, 2008, 77, 113302, 11
      http://journals.aps.org/prb/abstract/10.1103/PhysRevB.77.113302
      分区:2
    6. Article: A first principles study on organic molecule encapsulated boron nitride nanotubes
      He, Wei and Li, Zhenyu and Yang, Jinlong and Hou, J. G.
      The Journal of chemical physics, 2008, 128, 164701, 16
      http://scitation.aip.org/content/aip/journal/jcp/128/16/10.1063/1.2901026
      分区:2
    7. Article: A first-principles study of NO adsorption and oxidation on Au (111) surface
      Zhang, Wenhua and Li, Zhenyu and Luo, Yi and Yang, Jinlong
      The Journal of Chemical Physics, 2008, 129, 134708, 13
      http://scitation.aip.org/content/aip/journal/jcp/129/13/10.1063/1.2985668
      分区:2
    8. Article: Electronic structures of organic molecule encapsulated BN nanotubes under transverse electric field
      He, Wei and Li, Zhenyu and Yang, Jinlong and Hou, J. G.
      The Journal of chemical physics, 2008, 129, 024710, 2
      http://scitation.aip.org/content/aip/journal/jcp/129/2/10.1063/1.2946708
      分区:2
    9. Article: Electronic structures of SiC nanoribbons
      Sun, Lian and Li, Yafei and Li, Zhenyu and Li, Qunxiang and Zhou, Zhen and Chen, Zhongfang and Yang, Jinlong and Hou, J. G.
      The Journal of chemical physics, 2008, 129, 174114, 17
      http://scitation.aip.org/content/aip/journal/jcp/129/17/10.1063/1.3006431
      分区:2
    10. Article: Strain effect on electronic structures of graphene nanoribbons: A first-principles study
      Sun, Lian and Li, Qunxiang and Ren, Hao and Su, Haibin and Shi, Q. W. and Yang, Jinlong
      The Journal of chemical physics, 2008, 129, 074704, 7
      http://scitation.aip.org/content/aip/journal/jcp/129/7/10.1063/1.2958285
      分区:2
    11. Article: Electronic structures of defective BN nanotubes under transverse electric fields
      Hu, Shuanglin and Li, Zhenyu and Zeng, X. C. and Yang, Jinlong
      Journal of Physical Chemistry C, 2008, 112, 8424, 0
      http://arxiv.org/abs/0804.2171
      分区:2
    12. Article: Detecting a Molecule- Surface Hybrid State by an Fe-Coated Tip with a Non-s-Like Orbital
      Hu, Zhenpeng and Chen, Lan and Zhao, Aidi and Li, Zhenyu and Wang, Bing and Yang, Jinlong and Hou, J. G.
      The Journal of Physical Chemistry C, 2008, 112, 15603--15606, 40
      http://pubs.acs.org/doi/abs/10.1021/jp8065508
      分区:2
    13. Article: Electronic and magnetic properties of metal phthalocyanines on Au (111) surface: A first-principles study
      Hu, Zhenpeng and Li, Bin and Zhao, Aidi and Yang, Jinlong and Hou, J. G.
      The Journal of Physical Chemistry C, 2008, 112, 13650--13655, 35
      http://pubs.acs.org/doi/abs/10.1021/jp8043048
      分区:2
    14. Article: Electronic structures of defective boron nitride nanotubes under transverse electric fields
      Hu, Shuanglin and Li, Zhenyu and Zeng, X. C. and Yang, Jinlong
      The Journal of Physical Chemistry C, 2008, 112, 8424--8428, 22
      http://pubs.acs.org/doi/abs/10.1021/jp800096s
      分区:2
    15. Article: Formation and Dissociation of a Cu- H Complex in ZnO
      Hu, J. and Pan, B. C.
      The Journal of Physical Chemistry C, 2008, 112, 19142--19146, 48
      http://pubs.acs.org/doi/abs/10.1021/jp806836t
      分区:2
    16. Article: Interaction of iron atoms with pristine and defective (8, 0) boron nitride nanotubes
      Gou, G. Y. and Pan, B. C. and Shi, L.
      The Journal of Physical Chemistry C, 2008, 112, 13571--13578, 35
      http://pubs.acs.org/doi/abs/10.1021/jp802783p
      分区:2
    17. Article: Theoretical study of the site-dependent stabilities of intrinsic defects in a polar BN nanotube with finite length
      Gou, G. Y. and Pan, B. C. and Shi, L.
      The Journal of Physical Chemistry C, 2008, 112, 19353--19359, 49
      http://pubs.acs.org/doi/abs/10.1021/jp806530n
      分区:2
    18. Article: Improved endohedral fullerenelike structures of silicon clusters Si31–Si39 by density functional calculations
      Zhou, R. L. and Pan, B. C.
      European Physical Journal D, 2008, 47, 367--372, 3
      http://link.springer.com/article/10.1140/epjd/e2008-00049-7
      分区:3
    19. Article: Magnetism in graphene systems
      Kan, Erjun and Li, Zhenyu and Yang, Jinlong
      Nano, 2008, 3, 433--442, 6
      http://www.worldscientific.com/doi/abs/10.1142/S1793292008001350
      分区:3
    20. Article: Does the Incoming Oxygen Atom Influence the Geometries and the Electronic and Magnetic Structures of Co n Clusters?
      Liu, Li and Zhao, Run-Ning and Han, Ju-Guang and Liu, Fu-Yi and Pan, Guo-Qiang and Sheng, Liu-Si
      The Journal of Physical Chemistry A, 2008, 113, 360--366, 1
      http://pubs.acs.org/doi/abs/10.1021/jp8080244
      分区:3
    21. Article: First-Principles Study of Electronic and Magnetic Properties of Co n Mn m and Co n V m (m+ n≤ 6) Clusters
      Wu, Pan and Yuan, Lan-Feng and Yang, Jinlong
      The Journal of Physical Chemistry A, 2008, 112, 12320--12325, 48
      http://pubs.acs.org/doi/abs/10.1021/jp804188u
      分区:3
    22. Article: Lattice Dynamics and Superconductivity of RuB2: A First-Principles Study
      Yue-Qin, Wang and Lan-Feng, Yuan and Jin-Long, Yang
      Chinese Physics Letters, 2008, 25, 3036, 8
      http://iopscience.iop.org/0256-307X/25/8/081
      分区:4
    23. Article: Theoretical study of molecular nitrogen adsorption on Wn clusters
      Zhang, Xiurong and Ding, Xunlei and Fu, Qiang and Yang, Jinlong
      Journal of Molecular Structure: Theochem, 2008, 867, 17--21, 1
      http://www.sciencedirect.com/science/article/pii/S016612800800420X
      分区:4
    24. Article: A first principles study on the electronic and magnetic properties of Ba $ \_ $\$1-x$\$ $ K $ \_x $ Fe $ \_2 $ As $ \_2$
      Dai, Jun and Li, Zhenyu and Yang, Jinlong and Hou, J. G.
      arXiv preprint arXiv:0808.0065, 2008, 0
      http://arxiv.org/abs/0808.0065

    2007年:18篇

    1. Article: Quasi chiral phase separation in a two-dimensional orientationally disordered system: 6-nitrospiropyran on Au (111)
      Huang, Tian and Hu, Zhenpeng and Zhao, Aidi and Wang, Haiqian and Wang, Bing and Yang, Jinlong and Hou, J. G.
      Journal of the American Chemical Society, 2007, 129, 3857--3862, 13
      http://pubs.acs.org/doi/abs/10.1021/ja066521p
      分区:1
    2. Article: Will zigzag graphene nanoribbon turn to half metal under electric field?
      Kan, Er-Jun and Li, Zhenyu and Yang, Jinlong and Hou, J. G.
      Applied physics letters, 2007, 91, 243116, 24
      http://scitation.aip.org/content/aip/journal/apl/91/24/10.1063/1.2821112
      分区:2
    3. Article: Electronic structure of bilayer graphene: A real-space Green’s function study
      Wang, Z. F. and Li, Qunxiang and Su, Haibin and Wang, Xiaoping and Shi, Q. W. and Chen, Jie and Yang, Jinlong and Hou, J. G.
      Physical Review B, 2007, 75, 085424, 8
      http://journals.aps.org/prb/abstract/10.1103/PhysRevB.75.085424
      分区:2
    4. Article: First-principles calculations of the electronic and magnetic properties of Cs 2 Ag F 4
      Kan, Er-Jun and Yuan, Lan-Feng and Yang, Jinlong and Hou, J. G.
      Physical Review B, 2007, 76, 024417, 2
      http://journals.aps.org/prb/abstract/10.1103/PhysRevB.76.024417
      分区:2
    5. Article: Observation of local electronic structures of adatom vacancies in Si (111)-(7x7) surface in real space
      Chen, Lan and Pan, B. C. and Xiang, Hongjun and Wang, Bing and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      Physical Review B, 2007, 75, 085329, 8
      http://nanology.ustc.edu.cn/wenz/2007/PRB-75-085329-2007.pdf
      分区:2
    6. Article: Theoretical study of size-dependent properties of BN nanotubes with intrinsic defects
      Gou, G. Y. and Pan, B. C. and Shi, L.
      Physical Review B, 2007, 76, 155414, 15
      http://journals.aps.org/prb/abstract/10.1103/PhysRevB.76.155414
      分区:2
    7. Article: Tuning the electronic structure of graphene nanoribbons through chemical edge modification: A theoretical study
      Wang, Z. F. and Li, Qunxiang and Zheng, Huaixiu and Ren, Hao and Su, Haibin and Shi, Q. W. and Chen, Jie
      Physical Review B, 2007, 75, 113406, 11
      http://journals.aps.org/prb/abstract/10.1103/PhysRevB.75.113406
      分区:2
    8. Article: Electronic structure of atomic Ti chains on semiconducting graphene nanoribbons: A first-principles study
      Kan, Er-Jun and Xiang, H. J. and Yang, Jinlong and Hou, J. G.
      The Journal of chemical physics, 2007, 127, 164706, 16
      http://scitation.aip.org/content/aip/journal/jcp/127/16/10.1063/1.2789424
      分区:2
    9. Article: Linear scaling calculation of band edge states and doped semiconductors
      Xiang, H. J. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      The Journal of chemical physics, 2007, 126, 244707, 24
      http://scitation.aip.org/content/aip/journal/jcp/126/24/10.1063/1.2746322
      分区:2
    10. Article: Modified Morse potential for unification of the pair interactions
      Cheng, Longjiu and Yang, Jinlong
      The Journal of chemical physics, 2007, 127, 124104, 12
      http://scitation.aip.org/content/aip/journal/jcp/127/12/10.1063/1.2777148
      分区:2
    11. Article: Switching mechanism of photochromic diarylethene derivatives molecular junctions
      Huang, Jing and Li, Qunxiang and Ren, Hao and Su, Haibin and Shi, Q. W. and Yang, Jinlong
      The Journal of chemical physics, 2007, 127, 094705, 9
      http://scitation.aip.org/content/aip/journal/jcp/127/9/10.1063/1.2770733
      分区:2
    12. Article: Electron-induced ferromagnetic ordering of Co-doped ZnO
      Kan, Er-Jun and Yuan, Lan-Feng and Yang, Jinlong
      Journal of Applied Physics, 2007, 102, 033915, 3
      http://scitation.aip.org/content/aip/journal/jap/102/3/10.1063/1.2763948
      分区:3
    13. Article: Novel lattice-searching method for modeling the optimal strain-free close-packed isomers of clusters
      Cheng, Longjiu and Yang, Jinlong
      The Journal of Physical Chemistry A, 2007, 111, 2336--2342, 12
      http://pubs.acs.org/doi/abs/10.1021/jp0663816
      分区:3
    14. Article: Pair-hopping characteristic of lithium diffusive motion in Li-doped β-phase manganese phthalocyanine
      Du, Xiaosong and Li, Qunxiang and Chen, Ying and Su, Haibin and Yang, Jinlong
      The Journal of Physical Chemistry B, 2007, 111, 10064--10068, 34
      http://pubs.acs.org/doi/abs/10.1021/jp072304e
      分区:3
    15. Article: Atomic and Molecular Chemisorption of Oxygen in WO4 Clusters
      Chen, Zhao-ying and Yang, Jin-long
      Chinese Journal of Chemical Physics, 2007, 20, 78--82, 1
      http://scitation.aip.org/content/cps/journal/cjcp/20/1/10.1360/cjcp2007.20(1).78.5
      分区:4
    16. Article: Quantum dot based on Z-shaped graphene nanoribbon: First-principles study
      Ren, Hao and Li, Qun-xiang and Shi, Qin-wei and Yang, Jin-long
      Chinese Journal of Chemical Physics, 2007, 20, 489--494, 4
      http://scitation.aip.org/content/cps/journal/cjcp/20/4/10.1088/1674-0068/20/04/489-494
      分区:4
    17. Article: Edge Effects on the Electronic Structures of Chemically Modified Armchair Graphene Nanoribbons
      Ren, Hao and Li, Qunxiang and Su, Haibin and Shi, Q. W. and Chen, Jie and Yang, Jinlong
      arXiv preprint arXiv:0711.1700, 2007, 0
      http://arxiv.org/abs/0711.1700
    18. Article: An insight into the electronic structure of graphene: from monolayer to multi-layer
      Wang, Z. F. and Zheng, Huaixiu and Shi, Q. W. and Chen, Jie and Yang, Jinlong and Hou, J. G.
      arXiv preprint cond-mat/0703422, 2007, 0
      http://arxiv.org/abs/cond-mat/0703422

    2006年:15篇

    1. Article: One-dimensional transition metal-benzene sandwich polymers: Possible ideal conductors for spin transport
      Xiang, Hongjun and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      Journal of the American Chemical Society, 2006, 128, 2310--2314, 7
      http://pubs.acs.org/doi/abs/10.1021/ja054751i
      分区:1
    2. Article: Linear-scaling density matrix perturbation treatment of electric fields in solids
      Xiang, H. J. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      Physical Review Letters, 2006, 97, 266402, 26
      http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.97.266402
      分区:1
    3. Article: Piezoelectricity in ZnO nanowires: A first-principles study
      Xiang, H. J. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      Applied Physics Letters, 2006, 89, -, 22
      http://scitation.aip.org/content/aip/journal/apl/89/22/10.1063/1.2397013
      分区:2
    4. Article: Piezoelectricity in ZnO nanowires: A first-principles study
      Xiang, H. J. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      Applied Physics Letters, 2006, 89, 223111--223111, 22
      http://www.researchgate.net/profile/Jinlong_Yang/publication/224404047_Piezoelectricity_in_ZnO_nanowires_A_first-principles_study/links/0912f507c0196e318c000000.pdf
      分区:2
    5. Article: Electronic and magnetic properties of V-doped anatase Ti O 2 from first principles
      Du, Xiaosong and Li, Qunxiang and Su, Haibin and Yang, Jinlong
      Physical Review B, 2006, 74, 233201, 23
      http://journals.aps.org/prb/abstract/10.1103/PhysRevB.74.233201
      分区:2
    6. Article: Structural and electronic properties of $mathrm{Os}{mathrm{B}}_{2}$: A hard metallic material
      Chen, Z. Y. and Xiang, H. J. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      Physical Review B, 2006, Jul, 74, 1, 012102, 0, 4, American Physical Society
      http://link.aps.org/doi/10.1103/PhysRevB.74.012102
      分区:2
    7. Article: Structural and electronic properties of Os B 2: A hard metallic material
      Chen, Z. Y. and Xiang, H. J. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      Physical Review B, 2006, 74, 012102, 1
      http://journals.aps.org/prb/abstract/10.1103/PhysRevB.74.012102
      分区:2
    8. Article: Defects-enhanced dissociation of H2 on boron nitride nanotubes
      Wu, Xiaojun and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      The Journal of chemical physics, 2006, 124, 054706, 5
      http://scitation.aip.org/content/aip/journal/jcp/124/5/10.1063/1.2162897
      分区:2
    9. Article: Linear scaling calculation of maximally localized Wannier functions with atomic basis set
      Xiang, H. J. and Li, Zhenyu and Liang, W. Z. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      The Journal of chemical physics, 2006, 124, 234108, 23
      http://scitation.aip.org/content/aip/journal/jcp/124/23/10.1063/1.2207622
      分区:2
    10. Article: Single quintuple bond [PhCrCrPh] molecule as a possible molecular switch
      Huang, Jiang and Li, Qunxing and Ren, Hao and Su, Haibin and Yang, Jinlong
      The Journal of chemical physics, 2006, 125, 184713, 18
      http://scitation.aip.org/content/aip/journal/jcp/125/18/10.1063/1.2370906
      分区:2
    11. Article: Single-electron tunneling spectroscopy of single C60 in double-barrier tunnel junction
      Li, Bin and Zeng, Changgan and Zhao, Jin and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      The Journal of chemical physics, 2006, 124, 064709, 6
      http://scitation.aip.org/content/aip/journal/jcp/124/6/10.1063/1.2163333
      分区:2
    12. Article: Theoretical Study on Geometrical and Electronic Properties of Anionic and Neutral V2O6 Clusters
      Chen, Zhao-ying and Yang, Jin-long
      Chinese Journal of Chemical Physics, 2006, 19, 391--394, 5
      http://scitation.aip.org/content/cps/journal/cjcp/19/5/10.1360/cjcp2006.19(5).391.4
      分区:4
    13. Article: Electronic and piezoelectric properties of BN nanotubes from hybrid density functional method
      Xiang, H. J. and Chen, Z. Y. and Yang, Jinlong
      Journal of Computational and Theoretical Nanoscience, 2006, 3, 838--842, 5
      http://www.ingentaconnect.com/content/asp/jctn/2006/00000003/00000005/art00025
      分区:4
    14. Article: CHARGE AND SPIN ORDERING IN Na 0.5 CoO 2 FROM THE HYBRID DENSITY FUNCTIONAL STUDY
      Chen, Zhaoying and Xiang, Hongjun and Li, Zhenyu and Yang, Jinlong
      Journal of Theoretical & Computational Chemistry, 2006, 5, 515--522, 0
      http://www.worldscientific.com/doi/abs/10.1142/S021963360600243X
      分区:4
    15. Article: Graphene switch design: An illustration of the Klein paradox
      Shi, Q. W. and Wang, Z. F. and Chen, Jie and Zheng, H. X. and Li, Qunxiang and Wang, Xiaoping and Yang, Jinlong and Hou, J. G.
      arXiv preprint cond-mat/0611604, 2006, 0
      http://arxiv.org/abs/cond-mat/0611604

    2005年:13篇

    1. Article: Are fluorinated boron nitride nanotubes n-type semiconductors?
      Xiang, H. J. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      Applied Physics Letters, 2005, 87, -, 24
      http://scitation.aip.org/content/aip/journal/apl/87/24/10.1063/1.2142290
      分区:2
    2. Article: Are fluorinated boron nitride nanotubes n-type semiconductors?
      Xiang, H. J. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      Applied Physics Letters, 2005, 87, 243113, 24
      http://scitation.aip.org/content/aip/journal/apl/87/24/10.1063/1.2142290
      分区:2
    3. Article: Electronic transport properties of Pd-H junctions between two Pd H x (x= 0, 0.25, 0.5, 0.75, 1) electrodes: A nonequilibrium Green’s function study
      Wu, Xiaojun and Li, Qunxiang and Yang, Jinlong
      Physical Review B, 2005, 72, 115438, 11
      http://journals.aps.org/prb/abstract/10.1103/PhysRevB.72.115438
      分区:2
    4. Article: Nonequilibrium electronic transport of 4, 4′-bipyridine molecular junction
      Wu, Xiaojun and Li, Qunxiang and Huang, Jing and Yang, Jinlong
      The Journal of chemical physics, 2005, 123, 184712, 18
      http://scitation.aip.org/content/aip/journal/jcp/123/18/10.1063/1.2102902
      分区:2
    5. Article: Spin-unrestricted linear-scaling electronic structure theory and its application to magnetic carbon-doped boron nitride nanotubes
      Xiang, H. J. and Liang, W. Z. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      The Journal of chemical physics, 2005, 123, 124105, 12
      http://scitation.aip.org/content/aip/journal/jcp/123/12/10.1063/1.2034448
      分区:2
    6. Article: Half-metallic ferromagnetism in transition-metal encapsulated boron nitride nanotubes
      Xiang, H. J. and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      New Journal of Physics, 2005, 7, 39, 1
      http://iopscience.iop.org/1367-2630/7/1/039
      分区:2
    7. Article: Density functional calculations of the polarizability and second-order hyperpolarizability of C 50 Cl 10
      Yang, Yi and Wang, Fu-He and Zhou, Yun-Song and Yuan, Lanfeng and Yang, Jinlong
      Physical Review A, 2005, 71, 013202, 1
      http://journals.aps.org/pra/abstract/10.1103/PhysRevA.71.013202
      分区:2
    8. Article: Electronic transport property of 4, 4′-bipyridine molecular junction
      Li, Qunxiang and Wu, Xiaojun and Huang, Jing and Yang, Jinlong
      Ultramicroscopy, 2005, 105, 293--298, 1
      http://www.sciencedirect.com/science/article/pii/S0304399105001518
      分区:2
    9. Article: A first-principles study of (R)-and (S)-PPA molecules on Cu (111)
      Dai, Bing and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      The Journal of Physical Chemistry B, 2005, 109, 8833--8837, 18
      http://pubs.acs.org/doi/abs/10.1021/jp047319g
      分区:3
    10. Article: Fermi Surface Topology of Na0. 5CoO2 from the Hybrid Density Functional
      Zhao-Ying, Chen and Hong-Jun, Xiang and Jin-Long, Yang
      Chinese Physics Letters, 2005, 22, 3155, 12
      http://iopscience.iop.org/0256-307X/22/12/048
      分区:4
    11. Article: DENSITY FUNCTIONAL THEORY STUDY OF W 5 CLUSTERS
      Zhang, Xiurong and Ding, Xunlei and Yang, Jinlong
      International Journal of Modern Physics B, 2005, 19, 2427--2432, 15
      http://www.worldscientific.com/doi/abs/10.1142/S0217979205031092
      分区:4
    12. Article: Density functional theory study of W n (n= 2–4) clusters
      Zhang, Xiurong and Ding, Xunlei and Dai, Bing and Yang, Jinlong
      Journal of Molecular Structure: Theochem, 2005, 757, 113--118, 1
      http://www.sciencedirect.com/science/article/pii/S0166128005007190
      分区:4
    13. Article: Theoretical study of molecular nitrogen adsorption on Au clusters
      Ding, Xunlei and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      Journal of Molecular Structure: Theochem, 2005, 755, 9--17, 1
      http://www.sciencedirect.com/science/article/pii/S0166128005004677
      分区:4

    2004年:3篇

    1. Article: Electron-phonon coupling in a boron-doped diamond superconductor
      Xiang, H. J. and Li, Zhenyu and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      Physical Review B, 2004, 70, 212504, 21
      http://journals.aps.org/prb/abstract/10.1103/PhysRevB.70.212504
      分区:2
    2. Article: Hydrogen adsorption on zigzag (8, 0) boron nitride nanotubes
      Wu, Xiaojun and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      The Journal of chemical physics, 2004, 121, 8481--8485, 17
      http://scitation.aip.org/content/aip/journal/jcp/121/17/10.1063/1.1799958
      分区:2
    3. Article: Theoretical study of nitric oxide adsorption on Au clusters
      Ding, Xunlei and Li, Zhenyu and Yang, Jinlong and Hou, J. G. and Zhu, Qingshi
      The Journal of chemical physics, 2004, 121, 2558--2562, 6
      http://scitation.aip.org/content/aip/journal/jcp/121/6/10.1063/1.1769359
      分区:2