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