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Hu Min-Li, Fang Fan, Fan Qun-Chao, Fan Zhi-Xiang, Li Hui-Dong, Fu Jia, Xie Feng. Theoretical study on macroscopic thermodynamic properties of NO+ ion system. Acta Physica Sinica,
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Peng Jie, Zhang Si-Jie, Wang Ke, Dove Martin. Density functional theory calculation of spectrum and excitation properties of mer-Alq3. Acta Physica Sinica,
2020, 69(2): 023101.
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Jian Jun, Lei Jiao, Fan Qun-Chao, Fan Zhi-Xiang, Ma Jie, Fu Jia, Li Hui-Dong, Xu Yong-Gen. Theoretical study on thermodynamic properties of NO gas. Acta Physica Sinica,
2020, 69(5): 053301.
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Zhao Yu-Na, Cong Hong-Lu, Cheng Shuang, Yu Na, Gao Tao, Ma Jun-Gang. First-principles study of lattice dynamical and thermodynamic properties of Li2NH. Acta Physica Sinica,
2019, 68(13): 137102.
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Huang Ao, Lu Zhi-Peng, Zhou Meng, Zhou Xiao-Yun, Tao Ying-Qi, Sun Peng, Zhang Jun-Tao, Zhang Ting-Bo. Effects of the doping of Al and O interstitial atoms on thermodynamic properties of -Al2O3:first-principles calculations. Acta Physica Sinica,
2017, 66(1): 016103.
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Deng Shi-Jie, Zhao Yu-Hong, Hou Hua, Wen Zhi-Qin, Han Pei-De. Structural, mechanical and thermodynamic properties of Ti2AlX (X= C, N) at high pressure. Acta Physica Sinica,
2017, 66(14): 146101.
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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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Yan Xiao-Zhen, Kuang Xiao-Yu, Mao Ai-Jie, Kuang Fang-Guang, Wang Zhen-Hua, Sheng Xiao-Wei. First-principles study on the elastic, electronic and thermodynamic properties of ErNi2B2C under high pressure. Acta Physica Sinica,
2013, 62(10): 107402.
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Yang Ze-Jin, Linghu Rong-Feng, Cheng Xin-Lu, Yang Xiang-Dong. First-principles investigations on the electronic, elastic and thermodynamic properties of Cr2MC(M=Al, Ga). Acta Physica Sinica,
2012, 61(4): 046301.
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Zhang Wei, Chen Wen-Zhou, Wang Jun-Fei, Zhang Xiao-Dong, Jiang Zhen-Yi. Ab initio calculation of phase transitions, elastic, and thermodynamic properties of MnPd alloys. Acta Physica Sinica,
2012, 61(24): 246201.
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Li Xue-Mei, Han Hui-Lei, He Guang-Pu. Lattice dynamical, dielectric and thermodynamic properties of LiNH2 from first principles. Acta Physica Sinica,
2011, 60(8): 087104.
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Qian Ping, Shen Jiang, Wang Yu-Jie, Zhou Jun-Min. Structure and thermodynamic properties of Ni based superconductive material EuNi2Si2. Acta Physica Sinica,
2010, 59(12): 8776-8782.
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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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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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Liu Na-Na, Song Ren-Bo, Sun Han-Ying, Du Da-Wei. The electronic structure and thermodynamic properties of Mg2Sn from first-principles calculations. Acta Physica Sinica,
2008, 57(11): 7145-7150.
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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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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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Jiao Yu-Qiu, Zhao Kun, Lu Gui-Wu. Density functional theory studies on spectral properties of H3PAuPh and (H3PAu)2(1,4-C6H4)2. Acta Physica Sinica,
2008, 57(3): 1592-1598.
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Song Hai-Feng, Liu Hai-Feng. Theoretical study of thermodynamic properties of metal Be. Acta Physica Sinica,
2007, 56(5): 2833-2837.
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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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