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Chen Lu, Li Ye-Fei, Zheng Qiao-Ling, Liu Qing-Kun, Gao Yi-Min, Li Bo, Zhou Chang-Meng. Theoretical study of atomic relaxation, surface energy, electronic structure and properties of B2- and B19'-NiTi surfaces. Acta Physica Sinica,
2019, 68(5): 053101.
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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.
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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.
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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.
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Ruan Wen, Xie An-Dong, Yu Xiao-Guang, Wu Dong-Lan. Geometric structure and electronic characteristics of NaBn (n=19) clusters. Acta Physica Sinica,
2012, 61(4): 043102.
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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, Yan Hong-Xia, Jing Qun, Zhang Jian-Jun. Density functional theory study on the structure and electronicproperties of Aun Sc3 (n =1—7) clusters. Acta Physica Sinica,
2011, 60(3): 033101.
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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.
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Zhang Xiu-Rong, Li Yang, Yang Xing. Theoretical study on structural and electronic properties of WnNim(n+m=8) clusters. Acta Physica Sinica,
2011, 60(10): 103601.
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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.
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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.
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Liu Li-Ren, Lei Xue-Ling, Chen Hang, Zhu Heng-Jiang. Geometry and electronic properties of Bn(n=2—15) clusters. Acta Physica Sinica,
2009, 58(8): 5355-5361.
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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, 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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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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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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Zhao Wen-Jie, Wang Qing-Lin, Ren Feng-Zhu, Luo You-Hua. First principles study of the ground-state structures and magnetism of Zrn Fe(n=2—13)clusters. Acta Physica Sinica,
2007, 56(10): 5746-5753.
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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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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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Chen Li, Li Hua, Dong Jian-Min, Pan Feng-Chun, Mei Liang-Mo. Study on the spin-polarized electronicstructures and atomic magnetic moments ofcluster La8-xBaxCuO6. Acta Physica Sinica,
2004, 53(1): 254-259.
doi: 10.7498/aps.53.254
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