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Wei Lin, Liu Gui-Li, Wang Jia-Xin, Mu Guang-Yao, Zhang Guo-Ying. Density functional theory study on influence of tensile deformation and electric field on electrical properties of Si atom adsorbed on black phosphorene. Acta Physica Sinica,
2021, 70(21): 216301.
doi: 10.7498/aps.70.20210812
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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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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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Zhang Zhong-Shuo, Zhang Xiu-Rong, Gu Jiang, Ma Pan-Tao. Study on the structure and properties of fullerene C20 tetramer. Acta Physica Sinica,
2016, 65(2): 026101.
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Wang Yan-Li, Su Ke-He, Yan Hong-Xia, Wang Xin. Investigation of C atom doped armchair (n, n) single walled BN nanotubes with density functional theory. Acta Physica Sinica,
2014, 63(4): 046101.
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Yin Hai-Feng, Zhang Hong, Yue Li. Plasmon excitation in C60 fullerene dimers. Acta Physica Sinica,
2014, 63(12): 127303.
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Wang Zhi-Ping, Chen Jian, Wu Shou-Yu, Wu Ya-Min. Study of carbon atomic wire C5 in the laser field by time-dependent density functional theory. Acta Physica Sinica,
2013, 62(12): 123302.
doi: 10.7498/aps.62.123302
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Cao Qing-Song, Yuan Yong-Bo, Xiao Chuan-Yun, Lu Rui-Feng, Kan Er-Jun, Deng Kai-Ming. Density functional study on the geometric and electronic properties of C80H80. Acta Physica Sinica,
2012, 61(10): 106101.
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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.
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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.
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Lu Qi-Liang, Luo Qi-Quan, Chen Li-Li. Density functional theory study of hydrogen adsorption on C@Al12 cluster. Acta Physica Sinica,
2010, 59(1): 234-238.
doi: 10.7498/aps.59.234
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Gao Hong, Zhu Wei-Hua, Tang Chun-Mei, Geng Fang-Fang, Yao Chang-Da, Xu Yun-Ling, Deng Kai-Ming. Density functional calculation on the geometric structure and electronic properties of the endohedral fullerene N2@C60. Acta Physica Sinica,
2010, 59(3): 1707-1711.
doi: 10.7498/aps.59.1707
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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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Tang Chun-Mei, Zhu Wei-Hua, Deng Kai-Ming. Density functional calculations on the structure, bonding and magnetic properties of the transition metal atom doped endohedral fullerene Ni@C20H20. Acta Physica Sinica,
2009, 58(7): 4567-4572.
doi: 10.7498/aps.58.4567
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Zhang Hong-Yu, Wang Li-Guang, Zhang Xiu-Mei, Yu Ding-Wen, Li Yong. Electronic structure and conductance of fullerene C20. Acta Physica Sinica,
2008, 57(10): 6271-6276.
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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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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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Zhang Jia-Hong, Liu Su, Gu Fang, Yang Li-Juan, Liu Mei. First-principles calculations of electronic structure and magnetism of Gd2Co2Al. Acta Physica Sinica,
2006, 55(6): 2928-2935.
doi: 10.7498/aps.55.2928
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WANG ZHEN-XIA, KE XUE-ZHI, ZHU ZHI-YUAN, ZHU FU-YING, WANG WEN-MIN, YU GUO-QING, RUAN MEI-LING, CHEN HONG, HUANG RONG-BIN, ZHENG LAN-SUN. SYNTHESIS OF C20 FULLERENE DURING Ar+ ION IRRADIATION. Acta Physica Sinica,
2000, 49(5): 939-942.
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1998, 47(4): 632-644.
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