（含文中明确致谢的及用户反馈的）
- 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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