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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.
doi: 10.7498/aps.65.048101
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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.
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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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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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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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Zhang Xiao-Xing, Meng Fan-Sheng, Tang Ju, Yang Bing. DFT calculations on the adsorption of component SF6 decomposed under partial discharge onto carbon nanotubes modified by -OH. Acta Physica Sinica,
2012, 61(15): 156101.
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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.
doi: 10.7498/aps.60.012101
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Zhao Hua-Bo, Wang Liang, Zhang Zhao-Hui. Effect of palladium adsorption on the electrical transport of semiconducting carbon nanotubes. Acta Physica Sinica,
2011, 60(8): 087302.
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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.
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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.
doi: 10.7498/aps.60.087102
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Sun Jian-Min, Zhao Gao-Feng, Wang Xian-Wei, Yang Wen, Liu Yan, Wang Yuan-Xu. Study of structural and electronic properties of Cu-adsorbed (SiO2)n(n=1—8) clusters with the DFT. Acta Physica Sinica,
2010, 59(11): 7830-7837.
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Xu Hui, Xiao Jin, Ouyang Fang-Ping. Boron/nitrogen pairs doping in armchair single-walled carbon nanotubes. Acta Physica Sinica,
2010, 59(6): 4186-4193.
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Wang Liang, Zhang Zhao-Hui. First-principles calculation on interaction between a semiconducting single-walled carbon nanotube and its graphite substrate. Acta Physica Sinica,
2009, 58(10): 7147-7150.
doi: 10.7498/aps.58.7147
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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.
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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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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.
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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.
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Liang Jun-Wu, Hu Hui-Fang, Wei Jian-Wei, Peng Ping. Effects of oxygen adsorption on the electronic structure and optical properties of single-wall carbon nanotubes. Acta Physica Sinica,
2005, 54(6): 2877-2882.
doi: 10.7498/aps.54.2877
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