• 80.   Jing Huang, Ke Xu, Shulai Lei, Haibin Su, Shangfeng Yang, Qunxiang Li* and Jinlong Yang, Iron-phthalocyanine molecular junction with high spin filter efficiency and negative differential resistance, J. Chem. Phys. 136, 064707 (2012).
• 79.   Yan Zhang, Xiaojun Wu*, Qunxiang Li, and Jinlong Yang*, Linear Band-gap Modulation of Graphane Nanoribbons under Uniaxial Strain: A First-principles Study, J. Phys. Chem. C 116, 9356 (2012).
• 78.   Jing Huang, Weiyi Wang, Shangfeng Yang, Qunxiang Li*, and Jinlong Yang, Efficient spin filter based on FeN4 complexes between carbon nanotube electrodes, Nanotechnology 23, 255202 (2012).
• 77.   Chuanbao Chen, Fupin Liu, Shujuan Li, Nan Wang, Alexey A. Popov, Mingzhi Jiao, Tao Wei, Qunxiang Li, Lothar Dunsch, and Shangfeng Yang*, Titanium/Yttrium Mixed Metal Nitride Clusterfullerene TiY2N@C80: Synthesis, Isolation, and Effect of the Group-III Metal, Inorg. Chem. 51, 3039 (2012).
• 76.   Jing Huang, Weiyi Wang, Shangfeng Yang, Haibin Su, Qunxiang Li*, and Jinlong Yang, A theoretical study of spin-polarized transport properties of planar four-coordinate Fe Complexes, Chem. Phys. Lett. 539-540, 102 (2012).
• 75.   Zhaoyong Guan, Xiaojun Wu*, and Qunxiang Li*, Electronic and mechanic properties of line-defect embedded graphene nanoribbons: A first-principles study, Nano Life 2, 1240003 (2012).
• 74.   Ke Xu, Jing Huang, Zhaoyong Guan, Qunxiang Li*, and Jinlong Yang, Transport spin polarization of magnetic C28 molecular junctions, Chem. Phys. Lett. 535, 111 (2012).