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Li Ya-Sha, Sun Lin-Xiang, Zhou Xiao, Chen Kai, Wang Hui-Yao. Structure and excitation characteristics of C5F10O under external electric field based on density functional theory. Acta Physica Sinica,
2020, 69(1): 013101.
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Li Shi-Xiong, Chen De-Liang, Zhang Zheng-Ping, Long Zheng-Wen. Ground state structures and properties of Be atom doped boron clusters BeB$ _{ n}^{\bf 0/-} $ ($ n \bf = 10$ –15). Acta Physica Sinica,
2020, 69(19): 193101.
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Li Ya-Sha, Xie Yun-Long, Huang Tai-Huan, Xu Cheng, Liu Guo-Cheng. Molecular structure and properties of salt cross-linked polyethylene under external electric field based on density functional theory. Acta Physica Sinica,
2018, 67(18): 183101.
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Jiang Yuan-Qi, Peng Ping. Electronic structures of stable Cu-centered Cu-Zr icosahedral clusters studied by density functional theory. Acta Physica Sinica,
2018, 67(13): 132101.
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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.
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Yao Jian-Gang, Gong Bao-An, Wang Yuan-Xu. Dissociative adsorptions of NO on Yn (n=1–12) clusters. Acta Physica Sinica,
2013, 62(24): 243601.
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Song Jian, Li Feng, Deng Kai-Ming, Xiao Chuan-Yun, Kan Er-Jun, Lu Rui-Feng, Wu Hai-Ping. Density functional study on the stability and electronic structure of single layer Si6H4Ph2. Acta Physica Sinica,
2012, 61(24): 246801.
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Chen Xue-Feng, Qi Kai-Tian, Li Bing, Sheng Yong, Zhang Yan, Yang Chuan-Lu. Density functional theory study of silica clusters (SiO2)n-(n≤7). Acta Physica Sinica,
2010, 59(7): 4598-4601.
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Yang Jian, Wang Ni-Ying, Zhu Dong-Jiu, Chen Xuan, Deng Kai-Ming, Xiao Chuan-Yun. Density functional calculation of the geometric and magnetic properties of MPb10（M=Ti，V，Cr，Cu，Pd） clusters. Acta Physica Sinica,
2009, 58(5): 3112-3117.
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Tang Chun-Mei, Chen Xuan, Deng Kai-Ming, Hu Feng-Lan, Huang De-Cai, Xia Hai-Yan. The evolution of the structure and electronic properties of the fullerene derivatives C60（CF3）n(n=2, 4, 6, 10): A density functional calculation. Acta Physica Sinica,
2009, 58(4): 2675-2679.
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Cao Qing-Song, Deng Kai-Ming, Chen Xuan, Tang Chun-Mei, Huang De-Cai. Density functional study on the geometric and electronic properties of MC20F20 （M=Li, Na, Be, Mg）. Acta Physica Sinica,
2009, 58(3): 1863-1869.
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Qi Kai-Tian, Yang Chuan-Lu, Li Bing, Zhang Yan, Sheng Yong. Density functional theory study on TinLa（n=1—7） clusters. Acta Physica Sinica,
2009, 58(10): 6956-6961.
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Bai Yu-Jie, Fu Shi-You, Deng Kai-Ming, Tang Chun-Mei, Chen Xuan, Tan Wei-Shi, Liu Yu-Zhen, Huang De-Cai. Density functional calculations on the geometric and electronic structures of the endohedral fullerene H2＠C60 and its dimmer. Acta Physica Sinica,
2008, 57(6): 3684-3689.
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Jiang Yan-Ling, Fu Shi-You, Deng Kai-Ming, Tang Chun-Mei, Tan Wei-Shi, Huang De-Cai, Liu Yu-Zhen, Wu Hai-Ping. Density functional study on the structural and electronic properties of fullerene-barbituric acid and its dimmer. Acta Physica Sinica,
2008, 57(6): 3690-3697.
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Lei Xue-Ling, Zhu Heng-Jiang, Ge Gui-Xian, Wang Xian-Ming, Luo You-Hua. Structures and magnetism of BnNi(n=6—12) clusters from density-functional theory. Acta Physica Sinica,
2008, 57(9): 5491-5499.
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Fang Fang, Jiang Gang, Wang Hong-Yan. Structures and properties of small bimetallic PdnPbm(n+m≤5) clusters. Acta Physica Sinica,
2006, 55(5): 2241-2248.
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Guo Jian-Jun, Yang Ji-Xian, Die Dong, Yu Gui-Feng, Jiang Gang. Study on the structures and properties of small Pd-Y clusters. Acta Physica Sinica,
2005, 54(8): 3571-3577.
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Mao Hua-Ping, Yang Lan-Rong, Wang Hong-Yan, Zhu Zheng-He, Tang Yong-Jian. Calculation of ionization potential and geometry of small yttrium metal clusters. Acta Physica Sinica,
2005, 54(11): 5126-5129.
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Liu Yu-Zhen, Luo Cheng-Lin. Structure and growth pattern of Si cluster (n=11—32): a tight-binding molecular dynamics simulation. Acta Physica Sinica,
2004, 53(2): 592-595.
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TONG HONG-YONG, GU MU, TANG XUE-FENG, LIANG LING, YAO MING-ZHEN. ELECTRONIC STRUCTURES OF PbWO4 CRYSTAL CALCULATED IN TERMS OF DENSITY FUNCTIONAL THEORY. Acta Physica Sinica,
2000, 49(8): 1545-1549.
doi: 10.7498/aps.49.1545
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