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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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Zhang Chen-Jun, Wang Yang-Li, Chen Chao-Kang. Density functional theory of InCn+(n=110) clusters. Acta Physica Sinica,
2018, 67(11): 113101.
doi: 10.7498/aps.67.20172662
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Wang Ya-Jing, Li Gui-Xia, Wang Zhi-Hua, Gong Li-Ji, Wang Xiu-Fang. Diameter monodispersity of imogolite-like nanotube: a density functional theory study. Acta Physica Sinica,
2016, 65(4): 048101.
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Wen Jun-Qing, Zhang Jian-Min, Yao Pan, Zhou Hong, Wang Jun-Fei. A density functional theory study of small bimetallic PdnAl (n =18) clusters. Acta Physica Sinica,
2014, 63(11): 113101.
doi: 10.7498/aps.63.113101
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Wen Jun-Qing, Xia Tao, Wang Jun-Fei. A density functional theory study of small bimetallic PtnAl (n=18) clusters. Acta Physica Sinica,
2014, 63(2): 023103.
doi: 10.7498/aps.63.023103
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Xu Ying-Ying, Kan Yu-He, Wu Jie, Tao Wei, Su Zhong-Min. Theoretical study on the electronic structures and photophysical properties of carbon nanorings and their analogues. Acta Physica Sinica,
2013, 62(8): 083101.
doi: 10.7498/aps.62.083101
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Xie Xiao-Dong, Hao Yu-Ying, Zhang Ri-Guang, Wang Bao-Jun. Lithium-doped tris (8-hydroxyquinoline) aluminum studied by density functional theory. Acta Physica Sinica,
2012, 61(12): 127201.
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Zheng Ji-Ming, Zhao Pei, Chen You-Wei, Ren Zhao-Yu, Guo Ping. Theoretical investigation on electron transport properties of singlewall carbon nanotube with oxygen molecular absorption. Acta Physica Sinica,
2011, 60(6): 068501.
doi: 10.7498/aps.60.068501
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Fan Bing-Bing, Wang Li-Na, Wen He-Jing, Guan Li, Wang Hai-Long, Zhang Rui. Study on the structure of water chain encapsulated in carbon nanotube by density functional theory. Acta Physica Sinica,
2011, 60(1): 012101.
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Liu Sha, Wu Feng-Min, Teng Bo-Tao, Yang Pei-Fang. Helicity effects on Rh adsorption behavior inside and outside the single-wall carbon nanotubes. Acta Physica Sinica,
2011, 60(8): 087102.
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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.
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Chen Liang, Xu Can, Zhang Xiao-Fang. Electronic properties of MgO nanotube clusters studied with density functional theory. Acta Physica Sinica,
2009, 58(3): 1603-1607.
doi: 10.7498/aps.58.1603
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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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Wang Zhao-Liang, Liang Jin-Guo, Tang Da-Wei, Y. T. Zhu. Experimental and theoretical study of the length-dependent thermal conductivity of individual single-walled carbon nanotubes. Acta Physica Sinica,
2008, 57(6): 3391-3396.
doi: 10.7498/aps.57.3391
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Wang Kun-Peng, Shi Chun-Sheng, Zhao Nai-Qin, Du Xi-Wen. First-principle study of the effect of boron (nitrogen)-doping on adsorbing characteristics of aluminum on single-walled carbon nanotubes. Acta Physica Sinica,
2008, 57(12): 7833-7840.
doi: 10.7498/aps.57.7833
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Chen Xiang-Lei, Xi Chuan-Ying, Ye Bang-Jiao, Weng Hui-Min. Analysis of positron annihilation lifetime in single-walled carbon nanotube bundles. Acta Physica Sinica,
2007, 56(11): 6695-6700.
doi: 10.7498/aps.56.6695
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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.
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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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Ye Zhen-Cheng, Cai Jun, Zhang Shu-Ling, Liu Hong-Lai, Hu Ying. Studies on the density profiles of square-well chain fluid confined in a slit pore by density functional theory. Acta Physica Sinica,
2005, 54(9): 4044-4052.
doi: 10.7498/aps.54.4044
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