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