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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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Song Qing-Gong, Zhao Jun-Pu, Gu Wei-Feng, Zhen Dan-Dan, Guo Yan-Rui, Li Ze-Peng. Ductile and electronic properties of La-doped gamma-TiAl systems based on density functional theory. Acta Physica Sinica,
2017, 66(6): 066103.
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Yang Zhen-Qing, Bai Xiao-Hui, Shao Chang-Jin. Density functional theory studies of (TiO2)12 quantum ring and its electronic properties when doped with transition metal compounds. Acta Physica Sinica,
2015, 64(7): 077102.
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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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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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Ge Gui-Xian, Jing Qun, Cao Hai-Bin, Yang Zeng-Qiang, Tang Guang-Hui, Yan Hong-Xia. The study on structures and properties of Run and Run Au(n=112) clusters by density functional theory. Acta Physica Sinica,
2011, 60(10): 103102.
doi: 10.7498/aps.60.103102
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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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Tang Chun-Mei, Zhu Wei-Hua, Deng Kai-Ming. The structural and electronic properties of the unconventional exohedral fullerene C64Si. Acta Physica Sinica,
2009, 58(5): 3370-3376.
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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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Li Xi-Bo, Luo Jiang-Shan, Guo Yun-Dong, Wu Wei-Dong, Wang Hong-Yan, Tang Yong-Jian. Density functional theory study of the stability, electronic and magnetic properties of Scn, Yn and Lan (n＝2—10) clusters. Acta Physica Sinica,
2008, 57(8): 4857-4865.
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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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Ren Feng-Zhu, Wang Yuan-Xu, Tian Fu-Yang, Zhao Wen-Jie, Luo You-Hua. Density-functional study of ZrnCo(n=1—13) cluster structers and their magnetism. Acta Physica Sinica,
2008, 57(4): 2165-2173.
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Ge Gui-Xian, Luo You-Hua. Density functional theory study of the structure and electronic properties of MgnOn(n=2—8) clusters. Acta Physica Sinica,
2008, 57(8): 4851-4856.
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Ma Chen-Yan, Cui Ming-Qi, Zhang Ling-Yun, Wu Xiang, Zhou Ke-Jin, Wu Zi-Yu, Chen Xing, Zhao Yi-Dong, Zheng Lei. X-ray absorption near-edge structure spectroscopy research on electronic structures and magnetic properties of (Fe1-xNix)2P. Acta Physica Sinica,
2008, 57(6): 3868-3874.
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Wang Qing-Lin, Ge Gui-Xian, Zhao Wen-Jie, Lei Xue-Ling, Yan Yu-Li, Yang Zhi, Luo You-Hua. Density functional theory study on the structure and properties of CoBen(n=1—12) clusters. Acta Physica Sinica,
2007, 56(6): 3219-3226.
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Lei Xue-Ling, Wang Qing-Lin, Yan Yu-Li, Zhao Wen-Jie, Yang Zhi, Luo You-Hua. Structures and magnetism of small BnNi(n≤5) clusters. Acta Physica Sinica,
2007, 56(8): 4484-4490.
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Zhao Wen-Jie, Yang Zhi, Yan Yu-Li, Lei Xue-Ling, Ge Gui-Xian, Wang Qing-Lin, Luo You-Hua. Ground-state structures and magnetisms of GenFe(n=1—8) clusters: The density functional investigations. Acta Physica Sinica,
2007, 56(5): 2596-2602.
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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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Tan Ming-Qiu, Tao Xiang-Ming, Xu Xiao-Jun, Cai Jian-Qiu. Density functional theory study on the electronic structure of UAl3 a nd USn3. Acta Physica Sinica,
2003, 52(12): 3142-3149.
doi: 10.7498/aps.52.3142
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