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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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Dai Guang-Zhen, Jiang Xian-Wei, Xu Tai-Long, Liu Qi, Chen Jun-Ning, Dai Yue-Hua. Effect of oxygen vacancy on lattice and electronic properties of HfO2 by means of density function theory study. Acta Physica Sinica,
2015, 64(3): 033101.
doi: 10.7498/aps.64.033101
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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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Yu Ben-Hai, Chen Dong. Phase transition, electronic and optical properties of Si3N4 new phases at high pressure with density functional theory. Acta Physica Sinica,
2014, 63(4): 047101.
doi: 10.7498/aps.63.047101
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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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Jin Feng, Zhang Zhen-Hua, Wang Cheng-Zhi, Deng Xiao-Qing, Fan Zhi-Qiang. Twisting effects on energy band structures and transmission behaviors of graphene nanoribbons. Acta Physica Sinica,
2013, 62(3): 036103.
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Chen Dong, Xiao He-Yang, Jia Wei, Chen Hong, Zhou He-Gen, Li Yi, Ding Kai-Ning, Zhang Yong-Fan. Electronic structures and optical properties of AAl2C4 (A=Zn, Cd, Hg; C=S, Se) semiconductors. Acta Physica Sinica,
2012, 61(12): 127103.
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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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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.
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Yu Feng, Wang Pei-Ji, Zhang Chang-Wen. Electronic structure and optical properties of Al-doped SnO2. Acta Physica Sinica,
2011, 60(2): 023101.
doi: 10.7498/aps.60.023101
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Tan Xing-Yi, Jin Ke-Xin, Chen Chang-Le, Zhou Chao-Chao. Electronic structure of YFe2B2by first-principles calculation. Acta Physica Sinica,
2010, 59(5): 3414-3417.
doi: 10.7498/aps.59.3414
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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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Zhang Jie, Chen Xiang-Lei, Hao Ying-Ping, Ye Bang-Jiao, Du Huai-Jiang. Calculation of positron bulk lifetime of sphalerite crystalloid. Acta Physica Sinica,
2010, 59(8): 5828-5832.
doi: 10.7498/aps.59.5828
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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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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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Chen Yu-Hong, Kang Long, Zhang Cai-Rong, Luo Yong-Chun, Pu Zhong-Sheng. Density functional theory study of the structures and properties of (Li3N)n(n=1—5) clusters. Acta Physica Sinica,
2008, 57(7): 4174-4181.
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Guan Li, Liu Bao-Ting, Li Xu, Zhao Qing-Xun, Wang Ying-Long, Guo Jian-Xin, Wang Shu-Biao. Electronic structure and optical properties of fluorite-structure TiO2. Acta Physica Sinica,
2008, 57(1): 482-487.
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Chen Yu-Hong, Kang Long, Zhang Cai-Rong, Luo Yong-Chun, Yuan Li-Hua, Li Yan-Long. Density functional theory study on the structures and properties of (Ca3N2)n(n=1—4) clusters. Acta Physica Sinica,
2008, 57(10): 6265-6270.
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Ji Zheng-Hua, Zeng Xiang-Hua, Hu Yong-Jin, Tan Ming-Qiu. Electronic structure and optical properties of ZnSe under high pressure. Acta Physica Sinica,
2008, 57(6): 3753-3759.
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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.
doi: 10.7498/aps.55.171
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