（含文中明确致谢的及用户反馈的）
- 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - Optical properties of nickel derived from reflection electron energy loss spectra
Bereczky, RJ and T'oth, J and Da, B and Mao, SF and Ding, ZJ and T"ok'esi, K
Journal of Physics: Conference Series, 2014, 488, 132007, 13, IOP Publishing
分区：3 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - The hydrogenation-dependent thermal expansion properties of hydrogenated graphene
He, Haiyan and Pan, Bicai
The European Physical Journal B, 2014, 87, 1--6, 2, Springer
分区：4 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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/cSCI4o00036f - 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) - 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
分区：1 - 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