• 33.    Aidi Zhao, Qunxiang Li, Lan Chen, Hongjun Xiang, Weihua Wang, Shuan Pan, Bing Wang, Xudong Xiao, Jinlong Yang*, J. G. Hou*, and Qingshi Zhu, Controlling the Kondo Effect of an adsorbed magnetic ion through its chemical bonding,  Science 309, 1542-1545 (2005)
• 32.    Xiaojun Wu, Qunxiang Li, and Jinlong Yang*, Electronic transport properties of Pd-H junctions between two PdHx (x=0,0.25,0.5,0.75,1) electrodes: A nonequilibrium Green's function study,  Phys. Rev. B 72, 115438 (2005).
• 31.    Xiaojun Wu, Qunxiang Li, Jing Huang, and Jinlong Yang*, Nonequilibrium electronic transport of 4,4 -bipyridine molecular junction,  J. Chem. Phys. 123, 184172 (2005).
• 30.    Qunxiang Li, Xiaojun Wu, Jing Huang, and Jinlong Yang*, Electronic transport property of 4,4'-bipyridine molecular junction, Ultramicroscopy 105, 293-297 (2005).
• 29.    Xiaojun Wu, Qunxiang Li*, Jing Huang, and Jinlong Yang*, Theoretical study on the electron transport properties of single molecular bridge, Acta Phys. Chem. Silica, 20, 995 (2004).(in Chinese)
• 28.    Jinlong Yang*, Qunxiang Li, and Zhaoying Chen, Theoretical studies on fullerene molecules,  Sci. Technol. Rev. 10, 19-21 (2004).(invited, in Chinese)
• 27.    Langfeng Yuan, Jinlong Yang*, Haiqian Wang, Changgan Zeng, Qunxiang Li, Bing Wang, J. G .Hou, Qingshi Zhu, and Dongmin Chen., Low-temperature orientationally ordered structures of two- dimensional C60, J. Am. Chem. Soc. 125, 169 (2003)
• 26.    Kedong Wang, Jin Zhao, Shangfeng Yang, Lan Chen, Qunxiang Li, Bing Wang, Shihe Yang, Jinlong Yang*, J. G. Hou*, and Qingshi Zhu, Unveiling metal-cage hybrid states in a single endohedral metallofullerene, Phys. Rev. Lett. 91, 185504 (2003).
• 25.    Qunxiang Li, Xiaojun Wu, Bin Li, Jinlong Yang, and J.G.Hou, Electron transmission of cobalt phthalocyanine(CoPc) junction, J. Chin. Electr. Micsrosc. Soc. 22, 194 (2003). (in Chinese)
• 24.    Bin Li, Changgan Zeng, Qunxiang Li, Haiqian Wang, Bing Wang, Jinlong Yang, J. G. Hou, and Qingshi Shi, First-principles simulation of scanning tunneling microscopy images of individual molecules in alkanethiol self-assembled monolayers on Au(111), J. Phys. Chem. B 10, 972-987 (2003).
• 23.    Juguang Han*, Pengfei Zhang, Qunxiang Li, Hui Gao, Genyu Cao, Liusi Sheng, and Yunwu Zhang, A theoretical investigation of GenSn (n=1-4) clusters, J. Mol. Struct.- Theorechem. 624, 257 (2003)
• 22.    Bin Li*, Changgan Zeng, Qunxiang Li, Jinlong Yang, J. G. Hou, and Qingshi Zhu, First-principles simulation of scanning Tunneling microscopy images of individual molecules in alkanethiol self-assembled monolayers on Au(111), Nanotechnology 5188, 346 (2003)
• 21.    Bin Li, Changgan Zeng, Qunxiang Li, Jinlong Yang, J.G.Hou*, and Qingshi Zhu, STM imaging mechanism of alkanethiol self-assembly monolayers on Au(111), J. Chin. Electr. Microsc. Soc. 22, 189 (2003). (in Chinese)
• 20.    Qunxiang Li, Jinlong Yang, Lanfeng Yuan, J. G .Hou, and Qingshi Zhu, Simulations of scanning tunneling microscope images for vanadyl phthalocyanine (VOPc) and vanadium phthalocyanine (VPc), Acta Phys. Sin. 51, 609 (2002) (in Chinese).
• 19.    Lanfeng Yuan, Jinlong Yang, Qunxiang Li, and Qingshi Zhu, A first-principles study of acetylene and its evolution products on Cu(001), J. Chem. Phys. 116, 3104 (2002).
• 18.    Lanfeng Yuan, Jinlong Yang, Qunxiang Li, and Qingshi Zhu, First-principles investigation for M(CO)n/Ag(110) (M = Fe, Co, Ni, Cu, Zn, and Ag; n = 1, 2) systems: Geometries, STM images, and vibrational frequencies, Phys. Rev. B 65, 035415 (2002).
• 17.    J.G.Hou, Jinlong Yang, Haiqian Wang, Qunxiang Li, Changgan Zeng, Lanfeng Yuan, Dongming Chen, and Qingshi Zhu, Surface science-Topology of two-dimensional C60 domains, Nature 409, 304 (2001).
• 16.    Qunxiang Li, Jinlong Yang, Lanfeng Yuan, J. G. Hou, and Qingshi Zhu, Theoretical scanning tunnelling microscopy images of metal (Fe, Co, Ni and Cu) phthalocyanines, Chin. Phys. Lett. 18, 1234 (2001).
• 15.    Qunxiang Li, Jinlong Yang, Zhenyu Li, J. G. Hou and Qingshi Zhu, A first-principles study on the electronic structure of the first transition metal phthalocyanines, Acta Phys. Sin. -Ch. Ed. 50, 1877 (2001).
• 14.    Qunxiang Li, Lanfeng Yuan, Jinlong Yang, J.G.Hou, and Qingshi Zhu, Theoretical study on the stretching frequencies of small molecules adsorbed on Cu(100) surface and its simulated STM images, J. Chin. Electr. Microsc. Soc. 20, 549 (2001). (in Chinese)
• 13.    Changgen Ding, Jinlong Yang, and Qunxiang Li, Geometrical and electronic structures of vanadium clusters, and their evolution from molecular to bulk phase, Acta Phys. Sin.-Ch. Ed. 50, 1907 (2001).
• 12.    Haiqian Wang, Changgan Zeng, Bing Wang, J. G. Hou, Qunxiang Li, and Jinlong Yang, Orientational configurations of the C60 molecules in the(2 x 2)superlattice on a solid C60 (111) surface at low temperature, Phys. Rev. B 63, 085417 (2001).
• 11.    Lanfeng Yuan, Qunxiang Li, Jinlong Yang, J.G.Hou, and Qingshi Zhu, A first-principles investigation for bond selective chemical experiments, J. Chin. Electr. Microsc. Soc. 20, 543 (2001). (in Chinese)
• 10.    J.G. Hou, Jinlong Yang, Haiqian Wang, Qunxiang Li, Changgan Zeng, Hai Lin, Dongming Chen, and Qingshi Zhu, Reply the comment on Identifying molecular orientation of individual C60 on a Si(111)-(7 x 7) surface, Phys. Rev. Lett. 85, 2654 (2000).
• 9.    Qunxiang Li, Jinlong Yang, Jin Zhao, J. G. Hou, and Qingshi Zhu, Theoretical simulations of STM image, Prog. In Phys. 20, 234 (2000).(invited, review article, in Chinese)
• 8.    J.G. Hou, Jinlong Yang, Haiqian Wang, Qunxiang Li, Changgan Zeng, Hai Lin, Dongming Chen, and Qingshi Zhu, Identifying molecular orientation of individual C60 on a Si(111)-(7 x 7) surface, Phys. Rev. Lett. 83, 3001 (1999).
• 7.    Haiqian Wang, Changgan Zeng, Qunxiang Li, Bing Wang, Jinlong Yang, J. G. Hou, and Qingshi Zhu, Scanning tunneling spectroscopy of individual C60 molecules adsorbed on Si(111)-7x7 surface, Surf. Sci. 442, L1024 (1999).
• 6.    Qunxiang Li, Jinlong Yang, J.G. Hou, Kelin Wang, and Qingshi Zhu, Theoretical simulations of STM images for C60 with different adsorbed orientations, Acta Phys. Sin. Ch. Ed. 48, 1477 (1999).
• 5.    Qunxiang Li, Jinlong Yang, Changgeng Ding, Kelin Wang, and Jiaming Li, Roles of STM tip and external electric field in the single atom manipulation on Si(111)-7x7 surface, Acta Phys. Sin. Ch. Ed. 48, 1086 (1999).
• 4.    Xiangyuan Cui, Jinlong Yang, Qunxiang Li, Shangda Xia, and Chongyu Wang, Electronic structure of Ti2AlNb (O phase), J. Phys. Condens. Mat. 11, 6179 (2000)
• 3.    Changgeng Ding, Jinlong Yang, Qunxiang Li, and Kelin Wang, Electronic structure and magnetism of Y13 clusters, Phys. Lett. A 256, 417 (1999).
• 2.    Qunxiang Li, Jinlong Yang, Yongqing Li, and Kelin Wang, Theoretical simulation of STM images for C60/Ag(111), J. Chin. Electr. Microsc. Soc. 18, 1 (1999). (in Chinese)
• 1.    Qunxiang Li, Jinlong Yang, Kelin Wang, J. G. Hou, and Jiaming Li, Theoretical study on electronic structures of STM tungsten tip under external electric field, Acta Phys. Sin. 47, 445 (1998).(in Chinese)