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Lu Tao, Wang Jin, Fu Xu, Xu Biao, Ye Fei-Hong, Mao Jin-Bin, Lu Yun-Qing, Xu Ji. Theoretical calculation of the birefringence of poly-methyl methacrylate by using the density functional theory and molecular dynamics method. Acta Physica Sinica,
2016, 65(21): 210301.
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Hao Dan-Hui, Kong Fan-Jie, Jiang Gang. Structure and potential energy function of PuNO molecules. Acta Physica Sinica,
2015, 64(15): 153103.
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Xu Yong-Qiang, Peng Wei-Cheng, Wu Hua. Structures and potential energy functions of the ground states of YH,YD,YT molecules. Acta Physica Sinica,
2012, 61(4): 043105.
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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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Sun Jian-Min, Zhao Gao-Feng, Wang Xian-Wei, Yang Wen, Liu Yan, Wang Yuan-Xu. Study of structural and electronic properties of Cu-adsorbed (SiO2)n(n=1—8) clusters with the DFT. Acta Physica Sinica,
2010, 59(11): 7830-7837.
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Li Xue-Mei, Zhang Jian-Ping. Theoretical study on the structure, spectra and thermodynamic property of 5-(2-aryloxy-methylbenzimidazole-1-carbadehyde)-1,3,4-oxadiazole-2-thione. Acta Physica Sinica,
2010, 59(11): 7736-7742.
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Han Xiao-Qin, Jiang Li-Juan, Liu Yu-Fang. Structure and potential energy function of MgB and MgB2(1A1). Acta Physica Sinica,
2010, 59(7): 4542-4546.
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Gao Tao, Zhou Jing-Jing, Chen Yun-Gui, Wu Chao-Ling, Xiao Yan. Spatial configurations and X-ray absorption of Ti catalyzing on NaAlH4 surfaces: Car-Parrinello molecular dynamics and density functional theory study. Acta Physica Sinica,
2010, 59(10): 7452-7457.
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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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Yang Ze-Jin, Gao Qing-He, Guo Yun-Dong, Cheng Xin-Lu, Zhu Zheng-He, Yang Xiang-Dong. The structure and potential energy function of AlOH(CS，X1A′). Acta Physica Sinica,
2008, 57(3): 1582-1586.
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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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Kong Fan-Jie, Du Ji-Guang, Jiang Gang. The structure and potential energy function of PdCO molecule. Acta Physica Sinica,
2008, 57(1): 149-154.
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Li Quan, Zhu Zheng-He. The potential energy function and thermodynamic properties of AuZn and AuAl for the ground states and low-lying excited states. Acta Physica Sinica,
2008, 57(6): 3419-3424.
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Xu Mei, Wang Rong-Kai, Linghu Rong-Feng, Yang Xiang-Dong. Structures and potential energy functions of the ground states of BeH, BeD, BeT molecules. Acta Physica Sinica,
2007, 56(2): 769-773.
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Chen Xiao-Hong, Wang Ling, Zhu Zheng-He, Luo Shun-Zhong. Electron-vibration approximation method for hydrogen isotope compounds Al2O3X(X=H, D, T). Acta Physica Sinica,
2007, 56(8): 4467-4476.
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Yan Shi-Ying. The molecular structure and potential energy function of the ground state of BH2 molecule. Acta Physica Sinica,
2006, 55(7): 3408-3412.
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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.
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Xue Wei-Dong, Zhu Zheng-He. Thermodynamics stability for ground state CUO. Acta Physica Sinica,
2003, 52(12): 2965-2969.
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Xue Wei-Dong, Wang Hong-Yan, Zhu Zheng-He, Zhang Guang-Feng, Zhou Le-Xi, Chen Chang-An, Sun Ying. . Acta Physica Sinica,
2002, 51(11): 2480-2484.
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LUO DE-LI, SUN YING, LIU XIAO-YA, JIANG GANG, MENG DA-QIAO, ZHU ZHENG-HE. STRUCTURE AND POTENTIAL ENERGY FUNCTION INVESTIGATION ON UH AND UH2 MOLECULES. Acta Physica Sinica,
2001, 50(10): 1896-1901.
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