| [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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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