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Yin Min, Zhang Min, Lü Jin, Wu Hai-Shun. First-principles study of magnetism of TM@Cu12N12 nanoclusters. Acta Physica Sinica,
2019, 68(20): 203102.
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Qian Shuai, Guo Xin-Li, Wang Jia-Jia, Yu Xin-Quan, Wu San-Xie, Yu Jin. First principles study of structures, static polarizabilities and optical absorption spectra of Cun-1Au (n=2–10) clusters. Acta Physica Sinica,
2013, 62(5): 057803.
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Wu Peng, Liu Li-Ren, Zhu Heng-Jiang, Zou Yan-Bo, Liu Zhi-Feng. Structures, stabilities and electronic properties of InAs double-walled tubelike clusters and nanotubes. Acta Physica Sinica,
2012, 61(24): 243101.
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Wu Jiang-Bin, Qian Yao, Guo Xiao-Jie, Cui Xian-Hui, Miao Ling, Jiang Jian-Jun. First-principles study on the Li-storage performance of silicon clusters and graphene composite structure. Acta Physica Sinica,
2012, 61(7): 073601.
doi: 10.7498/aps.61.073601
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Wang Le, Liu Yang, Xu Guo-Tang, Li Xiao-Yan, Dong Qian-Min, Huang Jie, Liang Pei. First-principles study on the sensitization of small molecule adsorbed on ZnO nanowire. Acta Physica Sinica,
2012, 61(6): 063103.
doi: 10.7498/aps.61.063103
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Guo Zhao, Lu Bin, Jiang Xue, Zhao Ji-Jun. Structural, electronic, and optical properties of Li-n-1, Lin and Li+ n+1(n=20, 40) clusters by first-principles calculations. Acta Physica Sinica,
2011, 60(1): 013601.
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Gao Tan-Hua, Lu Dao-Ming, Wu Shun-Qing, Zhu Zi-Zhong. First-principles calculations of magnetism of Fe atomic sheet. Acta Physica Sinica,
2011, 60(4): 047502.
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Yu Yong-Jiang, Yang Chuan-Lu, An Yi-Peng, Wang Hua-Yang. First principles study on the interaction of Aun(n=2, 3, 4) clusters with ethanol molecules. Acta Physica Sinica,
2011, 60(2): 023102.
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Hu Yu-Ping, Ping Kai-Bin, Yan Zhi-Jie, Yang Wen, Gong Chang-Wei. First-principles calculations of structure and magnetic properties of -Fe(Si)phase precipitated in the Finemet alloy. Acta Physica Sinica,
2011, 60(10): 107504.
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Zheng Xin-Liang, Zheng Ji-Ming, Ren Zhao-Yu, Guo Ping, Tian Jin-Shou, Bai Jin-Tao. First-principles investigations on the electron transport of a TaSi3 cluster. Acta Physica Sinica,
2009, 58(8): 5709-5715.
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Xu Yong, Wang Xian-Long, Zeng Zhi. First principles study of neutral and charged small tungsten clusters. Acta Physica Sinica,
2009, 58(13): 72-S78.
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Yang Chong, Yang Chun. First-principles study of atomic and electronic structures of the silicon oxide clusters on Si(001) surfaces. Acta Physica Sinica,
2009, 58(8): 5362-5369.
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Yao Jian-Gang, Wang Xian-Wei, Wang Yuan-Xu, Jing Qun, Luo You-Hua. First-principles study of the NiMgn (n=1—12) clusters. Acta Physica Sinica,
2008, 57(7): 4166-4173.
doi: 10.7498/aps.57.4166
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Lin Qiu-Bao, Li Ren-Quan, Wen Yu-Hua, Zhu Zi-Zhong. First-principles calculations on the structures of Wn (n=3—27) clusters. Acta Physica Sinica,
2008, 57(1): 181-185.
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Tian Fu-Yang, Wang Yuan-Xu, Jing Qun, Tian Kai, Luo You-Hua. Density functional theory study of structures and electronic properties of XMgn (X=B, Al, n=1—12) clusters. Acta Physica Sinica,
2008, 57(3): 1648-1655.
doi: 10.7498/aps.57.1648
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Zheng Lei, Jiang Cheng-Bao, Shang Jia-Xiang, Zhu Xiao-Xi, Xu Hui-Bin. Calculating elastic constants of Fe-based cubic magnetic material using first principles. Acta Physica Sinica,
2007, 56(3): 1532-1537.
doi: 10.7498/aps.56.1532
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Jing Qun, Zhang Jun, Wang Qing-Lin, Luo You-Hua. First principles study of lowest energy structures and electronic properties of GenB(n=12—19) clusters. Acta Physica Sinica,
2007, 56(8): 4477-4483.
doi: 10.7498/aps.56.4477
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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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Ge Gui-Xian, Jing Qun, Yang Zhi, Yan Yu-Li, Lei Xue-Ling, Zhao Wen-Jie, Wang Qing-Lin, Luo You-Hua. First-principles study of the lowest energy structures and electronic properties of NaBen (n=1—12) clusters. Acta Physica Sinica,
2006, 55(9): 4548-4552.
doi: 10.7498/aps.55.4548
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Li En-Ling, Yang Cheng-Jun, Chen Gui-Can, Wang Xue-Wen, Ma De-Ming. First principles study on structure and stability of small GanPm clusters. Acta Physica Sinica,
2005, 54(9): 4117-4123.
doi: 10.7498/aps.54.4117
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