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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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Cai Tian-Yi, Ju Sheng. Photovoltaic effect in ferroelectrics. Acta Physica Sinica,
2018, 67(15): 157801.
doi: 10.7498/aps.67.20180979
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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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Liu Yong-Guang, Kang Ai-Guo, Zhang Shao-Fei, Hou Zhi-Wen, Liu Wen-Bin. Theoretical analysis on ferroelectricity critical dimension of BaTiO3 nanoparticles. Acta Physica Sinica,
2015, 64(17): 177702.
doi: 10.7498/aps.64.177702
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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.
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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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Hu Jia-Guang, Xu Wen, Xiao Yi-Ming, Zhang Ya-Ya. The two-dimensional phononic crystal band gaps tuned by the symmetry and orientation of the additional rods in the center of unit cell. Acta Physica Sinica,
2012, 61(23): 234302.
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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
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Chen He-Ming, Meng Qing. Design of high efficiency photonic crystal terahertz filter. Acta Physica Sinica,
2011, 60(1): 014202.
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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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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.
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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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Zhou Bo, Chen Yun-Lin, Liu Gang, Zhan He. Improvement on the classical model for new domain nucleation in ferroelectrics. Acta Physica Sinica,
2009, 58(4): 2762-2767.
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Chen Yu-Hong, Kang Long, Zhang Cai-Rong, Luo Yong-Chun, Ma Jun. Density functional theory study of ［Mg(NH2)2］n(n=1—5) clusters. Acta Physica Sinica,
2008, 57(8): 4866-4874.
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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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