| [1] |
Li Yuan-Yuan, Hu Zhu-Bin, Sun Hai-Tao, Sun Zhen-Rong. Density functional theory studies on the excited-state properties of Bilirubin molecule. Acta Physica Sinica,
2020, 69(16): 163101.
doi: 10.7498/aps.69.20200518
|
| [2] |
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
|
| [3] |
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
|
| [4] |
Xu Hui-Ying, Liu Yong, Li Zhong-Yuan, Yang Yu-Jun, Yan Bing. Rovibrational spectrum calculations of four electronic states in carbon monoxide molecule: Comparison of two effect correction methods. Acta Physica Sinica,
2018, 67(21): 213301.
doi: 10.7498/aps.67.20181469
|
| [5] |
Dai Guang-Zhen, Jiang Xian-Wei, Xu Tai-Long, Liu Qi, Chen Jun-Ning, Dai Yue-Hua. Effect of oxygen vacancy on lattice and electronic properties of HfO2 by means of density function theory study. Acta Physica Sinica,
2015, 64(3): 033101.
doi: 10.7498/aps.64.033101
|
| [6] |
Lü Jin, Yang Li-Jun, Wang Yan-Fang, Ma Wen-Jin. Density functional theory study of structure characteristics and stabilities of Al2Sn(n=2-10) clusters. Acta Physica Sinica,
2014, 63(16): 163601.
doi: 10.7498/aps.63.163601
|
| [7] |
Yu Ben-Hai, Chen Dong. Phase transition, electronic and optical properties of Si3N4 new phases at high pressure with density functional theory. Acta Physica Sinica,
2014, 63(4): 047101.
doi: 10.7498/aps.63.047101
|
| [8] |
Zhu Hong-Qiang, Feng Qing. Microscopic characteristics mechanism of optical gas sensing material rutile titanium dioxide (110) surface adsorption of CO molecules. Acta Physica Sinica,
2014, 63(13): 133101.
doi: 10.7498/aps.63.133101
|
| [9] |
Guo Qi-Yun, Peng Wen-Yi, Yan Ming-Ming, Guo Feng-Li. Microstructure and magnetic-field-induced strain in Mn70Fe30-xCox (x=0,2,4) alloys. Acta Physica Sinica,
2013, 62(15): 157502.
doi: 10.7498/aps.62.157502
|
| [10] |
Yuan Jian-Mei, Hao Wen-Ping, Li Shun-Hui, Mao Yu-Liang. Density functional study on the adsorption of C atoms on Ni (111) surface. Acta Physica Sinica,
2012, 61(8): 087301.
doi: 10.7498/aps.61.087301
|
| [11] |
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
|
| [12] |
Fan Qun-Chao, Sun Wei-Guo, Li Hui-Dong, Feng Hao. P-branch spectral lines of rovibrational transitions of CO molecule in ground state. Acta Physica Sinica,
2011, 60(6): 063301.
doi: 10.7498/aps.60.063301
|
| [13] |
Zhang Jian-Dong, Yang Chun, Chen Yuan-Tao, Zhang Bian-Xia, Shao Wen-Ying. A density functional theory study of absorption behavior of CO on Au-doped single-walled carbon nanotubes. Acta Physica Sinica,
2011, 60(10): 106102.
doi: 10.7498/aps.60.106102
|
| [14] |
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
|
| [15] |
Yang Pei-Fang, Hu Juan-Mei, Teng Bo-Tao, Wu Feng-Min, Jiang Shi-Yu. Density functional theory study of rhodium adsorption on single-wall carbon nanotubes. Acta Physica Sinica,
2009, 58(5): 3331-3337.
doi: 10.7498/aps.58.3331
|
| [16] |
Wu Ding-Cai, Hu Zhi-Gang, Duan Man-Yi, Xu Lu-Xiang, Liu Fang-Shu, Dong Cheng-Jun, Wu Yan-Nan, Ji Hong-Xuan, Xu Ming. Synthesis and photoluminescence of (Co, Cu)-doped ZnO thin films. Acta Physica Sinica,
2009, 58(10): 7261-7266.
doi: 10.7498/aps.58.7261
|
| [17] |
Meng Da-Qiao, Luo Wen-Hua, Li Gan, Chen Hu-Chi. Density functional study of CO2 adsorption on Pu(100) surface. Acta Physica Sinica,
2009, 58(12): 8224-8229.
doi: 10.7498/aps.58.8224
|
| [18] |
Zeng Zhen-Hua, Deng Hui-Qiu, Li Wei-Xue, Hu Wang-Yu. Density function theory calculation of oxygen adsorption on Au(111) surface. Acta Physica Sinica,
2006, 55(6): 3157-3164.
doi: 10.7498/aps.55.3157
|
| [19] |
Xu Shao-Yan, Lu Bo-Qiao, Zheng Ya-Ru, Sun Yan. Experimental study on thermopower of transition metals Fe，Co and Ni in the vicinity of Curie temperatures. Acta Physica Sinica,
2006, 55(5): 2529-2533.
doi: 10.7498/aps.55.2529
|
| [20] |
Guo Hong-Yong, Liu Bao-Dan, Tang Ning, Luo Hong-Zhi, Li Yang-Xian, Yang Fu-Ming, Wu Guang-Heng. The effect of Co substitution and stabilizing element on the structure and magnetic properties of Nd3(Fe,Co,M)29(M=Ti,V,Cr) compounds. Acta Physica Sinica,
2004, 53(1): 189-193.
doi: 10.7498/aps.53.189
|
下载:
