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