[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] |
Cao Qing-Song, Deng Kai-Ming.Theoretical studies of geometric and electronic structures of X@C20F20 (X=He, Ne, Ar, Kr). Acta Physica Sinica, 2016, 65(5): 056102.doi:10.7498/aps.65.056102 |
[3] |
Li Xin, Zhang Liang, Yang Meng-Shi, Chu Xiu-Xiang, Xu Can, Chen Liang, Wang Yue-Yue.Theoretical study on geometry and physical and chemical properties of oligochitosan. Acta Physica Sinica, 2014, 63(7): 076102.doi:10.7498/aps.63.076102 |
[4] |
Ruan Wen, Yu Xiao-Guang, Xie An-Dong, Wu Dong-Lan, Luo Wen-Lang.Structural and electronic properties of the BnY (n=1-11) clusters. Acta Physica Sinica, 2014, 63(24): 243101.doi:10.7498/aps.63.243101 |
[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] |
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 |
[7] |
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 |
[8] |
Tang Hui-Shuai, Zhang Xiu-Rong, Kang Zhang-Li, Wu Li-Qing.Theoretical study of geometry structures and stability of OsnN0,±(n=1—6) clusters. Acta Physica Sinica, 2011, 60(5): 053601.doi:10.7498/aps.60.053601 |
[9] |
Ge Gui-Xian, Yan Hong-Xia, Jing Qun, Zhang Jian-Jun.Density functional theory study on the structure and electronicproperties of Aun Sc3 (n =1—7) clusters. Acta Physica Sinica, 2011, 60(3): 033101.doi:10.7498/aps.60.033101 |
[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] |
Jin Rong, Chen Xiao-Hong.Structure and properties of ZrnPd clusters by density-functional theory. Acta Physica Sinica, 2010, 59(10): 6955-6962.doi:10.7498/aps.59.6955 |
[13] |
Gao Hong, Zhu Wei-Hua, Tang Chun-Mei, Geng Fang-Fang, Yao Chang-Da, Xu Yun-Ling, Deng Kai-Ming.Density functional calculation on the geometric structure and electronic properties of the endohedral fullerene N2@C60. Acta Physica Sinica, 2010, 59(3): 1707-1711.doi:10.7498/aps.59.1707 |
[14] |
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 |
[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] |
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 |
[17] |
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 |
[18] |
Chen Xuan, Lu Gong-Li, Tang Chun-Mei, Deng Kai-Ming, Tan Wei-Shi.Geometric structures, electronic properties, and magnetism of M2Sn17(M=Ni,Mn)and their anions. Acta Physica Sinica, 2007, 56(9): 5216-5220.doi:10.7498/aps.56.5216 |
[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 |