| [1] |
Luo Qiang, Yang Heng, Guo Ping, Zhao Jian-Fei.Density functional theory calculation of structure and electronic properties in N-methane hydrate. Acta Physica Sinica, 2019, 68(16): 169101.doi:10.7498/aps.68.20182230 |
| [2] |
Du Jian-Bin, Zhang Qian, Li Qi-Feng, Tang Yan-Lin.Investigation of external electric field effect on C24H38O4 molecule by density functional theory. Acta Physica Sinica, 2018, 67(6): 063102.doi:10.7498/aps.67.20172022 |
| [3] |
Peng Jun-Hui, Zeng Qing-Feng, Xie Cong-Wei, Zhu Kai-Jin, Tan Jun-Hua.High-pressure structure prediction of Hf-C system and first-principle simulation of their electronic properties. Acta Physica Sinica, 2015, 64(23): 236102.doi:10.7498/aps.64.236102 |
| [4] |
Xu Zhi-Cheng, Zhong Wei-Rong.Transient kinetics of graphene bombarded by fullerene. Acta Physica Sinica, 2014, 63(8): 083401.doi:10.7498/aps.63.083401 |
| [5] |
Tang Chun-Mei, Guo Wei, Zhu Wei-Hua, Liu Ming-Yi, Zhang Ai-Mei, Gong Jiang-Feng, Wang Hui.Density functional calculations of geomatric structure, electronic structure, stability, and magnetic properties of transitional atom endohedral unclassical fullerene M@C22(M=Sc,Ti, V, Cr, Mn, Fe, Co and Ni). Acta Physica Sinica, 2012, 61(2): 026101.doi:10.7498/aps.61.026101 |
| [6] |
Cao Qing-Song, Yuan Yong-Bo, Xiao Chuan-Yun, Lu Rui-Feng, Kan Er-Jun, Deng Kai-Ming.Density functional study on the geometric and electronic properties of C80H80. Acta Physica Sinica, 2012, 61(10): 106101.doi:10.7498/aps.61.106101 |
| [7] |
Ruan Wen, Xie An-Dong, Yu Xiao-Guang, Wu Dong-Lan.Geometric structure and electronic characteristics of NaBn (n=19) clusters. Acta Physica Sinica, 2012, 61(4): 043102.doi:10.7498/aps.61.043102 |
| [8] |
Wan Li, Cao Liang, Zhang Wen-Hua, Han Yu-Yan, Chen Tie-Xin, Liu Ling-Yun, Guo Pan-Pan, Feng Jin-Yong, Xu Fa-Qiang.The interfacial electronic structures at FePc/TiO2(110) and FePc/C60 interface. Acta Physica Sinica, 2012, 61(18): 186801.doi:10.7498/aps.61.186801 |
| [9] |
Zhang Zhi-Long, Chen Yu-Hong, Ren Bao-Xing, Zhang Cai-Rong, Du Rui, Wang Wei-Chao.Density functional theory study on the structure and properties of (HMgN3)n(n=15) clusters. Acta Physica Sinica, 2011, 60(12): 123601.doi:10.7498/aps.60.123601 |
| [10] |
Ge Gui-Xian, Jing Qun, Cao Hai-Bin, Yang Zeng-Qiang, Tang Guang-Hui, Yan Hong-Xia.The study on structures and properties of Run and Run Au(n=112) clusters by density functional theory. Acta Physica Sinica, 2011, 60(10): 103102.doi:10.7498/aps.60.103102 |
| [11] |
Zhang Xiu-Rong, Li Yang, Yang Xing.Theoretical study on structural and electronic properties of WnNim(n+m=8) clusters. Acta Physica Sinica, 2011, 60(10): 103601.doi:10.7498/aps.60.103601 |
| [12] |
Liu Rui, Xu Zheng, Zhao Su-Ling, Zhang Fu-Jun, Cao Xiao-Ning, Kong Chao, Cao Wen-Zhe, Gong Wei.Inserting various cathodic buffer layers to enhancethe performance of Pentacene/C60based organic solar cells. Acta Physica Sinica, 2011, 60(5): 058801.doi:10.7498/aps.60.058801 |
| [13] |
Tang Chun-Mei, Zhu Wei-Hua, Deng Kai-Ming.Density functional calculations on the structure, bonding and magnetic properties of the transition metal atom doped endohedral fullerene Ni@C20H20. Acta Physica Sinica, 2009, 58(7): 4567-4572.doi:10.7498/aps.58.4567 |
| [14] |
Liu Li-Ren, Lei Xue-Ling, Chen Hang, Zhu Heng-Jiang.Geometry and electronic properties of Bn(n=2—15) clusters. Acta Physica Sinica, 2009, 58(8): 5355-5361.doi:10.7498/aps.58.5355 |
| [15] |
Li Xi-Bo, Wang Hong-Yan, Luo Jiang-Shan, Wu Wei-Dong, Tang Yong-Jian.Density functional theory study of the geometry, stability and electronic properties of ScnO(n=1—9) clusters. Acta Physica Sinica, 2009, 58(9): 6134-6140.doi:10.7498/aps.58.6134 |
| [16] |
Ge Gui-Xian, Luo You-Hua.Density functional theory study of the structure and electronic properties of MgnOn(n=2—8) clusters. Acta Physica Sinica, 2008, 57(8): 4851-4856.doi:10.7498/aps.57.4851 |
| [17] |
Li Xi-Bo, Luo Jiang-Shan, Guo Yun-Dong, Wu Wei-Dong, Wang Hong-Yan, Tang Yong-Jian.Density functional theory study of the stability, electronic and magnetic properties of Scn, Yn and Lan (n＝2—10) clusters. Acta Physica Sinica, 2008, 57(8): 4857-4865.doi:10.7498/aps.57.4857 |
| [18] |
Chen Xiang-Lei, Kong Wei, Weng Hui-Min, Ye Bang-Jiao.Analysis of positron annihilation in carbon allotropes. Acta Physica Sinica, 2008, 57(5): 3271-3275.doi:10.7498/aps.57.3271 |
| [19] |
Wang Qing-Lin, Ge Gui-Xian, Zhao Wen-Jie, Lei Xue-Ling, Yan Yu-Li, Yang Zhi, Luo You-Hua.Density functional theory study on the structure and properties of CoBen(n=1—12) clusters. Acta Physica Sinica, 2007, 56(6): 3219-3226.doi:10.7498/aps.56.3219 |
| [20] |
Chen Yu-Hong, Zhang Cai-Rong, Ma Jun.Density functional theory study on the structure and properties of MgmBn(m=1,2;n=1—4) clusters. Acta Physica Sinica, 2006, 55(1): 171-178.doi:10.7498/aps.55.171 |
下载: