[1] |
Ning Li, Lina Xu, Guoyong Fang, Yingjin Ma.
Fault-tolerant Coded Quantum Chemical Distributed Calculation
[J]. Acta Chimica Sinica, 2024, 82(2): 138-145.
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[2] |
Bing Zheng, Zhe Wang, Jing He, Jiao Zhang, Wenbo Qi, Mengyuan Zhang, Haitao Yu.
Structure and Work Function of Alkaline (Earth) Metal-Bilayer α-Borophene Nanocomposite: A Theoretical Study
[J]. Acta Chimica Sinica, 2023, 81(10): 1357-1370.
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[3] |
Deng Yingyi, Qian Yinyin, Xie Ying, Zhang Lei, Zheng Bing, Lou Yuanqing, Yu Haitao.
Effect of Li Adsorption on Work Function Modulation of Bilayer α-Borophene: A Theoretical Study
[J]. Acta Chimica Sinica, 2020, 78(4): 344-354.
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[4] |
Liu Chang, Yu Ge, Huang Cuiying, Wang Changsheng.
Site Preferences of Nucleic Acid Bases Hydrogen Bonding to Glycine Dipeptide
[J]. Acta Chim. Sinica, 2015, 73(4): 357-365.
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[5] |
YU Yan-Chun, ZHU Wei, XIAO Ji-Jun, GUO Xiang, TANG Gen, ZHENG Jian, XIAO He-Ming.
Molecular Dynamics Simulation of Binding Energies and Mechanical Properties of Energetic Systems with Four Components
[J]. Acta Chimica Sinica, 2010, 68(12): 1181-1187.
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[6] |
XIA Lu1,2 XIAO Ji-Jun2 FAN Jian-Fen ZHU Wei2 XIAO He-Ming*,2.
Molecular Dynamics Simulation of Mechanical Properties and Surface Interaction for Nitrate Plasticizer
[J]. Acta Chimica Sinica, 2008, 66(8): 874-878.
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[7] |
XIA Ming-Zhu; WANG Feng-Yun*,1; LEI Wu; ZHANG Shu-Guang2.
Scale Inhibiting Effect and Mechanism of Carboxylic Polymer on Apatite
[J]. Acta Chimica Sinica, 2008, 66(4): 476-480.
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[8] |
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A Theoretical Criterion for Sensitivity of Energetic Composites——Molecular Dynamics Studies on AP/HMX Systems at Various Concentrations and Temperatures
[J]. Acta Chimica Sinica, 2008, 66(23): 2592-2596.
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[9] |
ZHANG Shu-Guang*,1 ;WANG Feng-Yun2 ;LEI Wu2 ;XIA Ming-Zhu2.
Molecular Dynamics Simulation of Interaction between Water-Soluble Polymers and Anhydrite Crystal
[J]. Acta Chimica Sinica, 2007, 65(20): 2249-2256.
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[10] |
ZHANG Shu-Guang*,1 ;CHEN Yu2 ;WANG Feng-Yun2.
Molecular Dynamics Simulation of the Corrosion Inhibition Mechanism of Copper by Benzotriazole and Its Carboxylate Derivatives
[J]. Acta Chimica Sinica, 2007, 65(20): 2235-2242.
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[11] |
SHI Wen-Yan1,2; WANG Feng-Yun*,1; XIA Ming-Zhu; LEI Wu; ZHANG Shu-Guang.
Molecular Dynamics Simulation of Interaction between Carboxylate Copolymer and Calcite Crystal
[J]. Acta Chimica Sinica, 2006, 64(17): 1817-1823.
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[12] |
LEI Wu, ZHANG Shu-Guang, XIA Ming-Zhu, WANG Feng-Yun*.
Synthesis and Molecular Dynamics Simulation of Anti-scaling Mechanism for Polyether Polyamino Methylene Phosphonates
[J]. Acta Chimica Sinica, 2006, 64(12): 1291-1298.
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[13] |
XIONG Zhong-Hua*,1, CHEN Qi, ZHENG Xiu-Mei, WEI Xi-Wen2.
Study on UO22+•nH2O and PuO22+•nH2O (n=2, 4, 5, 6) by Means of Density Functional Theory
[J]. Acta Chimica Sinica, 2005, 63(7): 572-576.
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[14] |
XIAO Ji-Jun, GU Cheng-Gang, FANG Guo-Yong, ZHU Wei, XIAO He-Ming*.
Theoretical Study on Binding Energies and Mechanical Properties of TATB-based PBX
[J]. Acta Chimica Sinica, 2005, 63(6): 439-444.
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[15] |
MA Xiu-Fang, XIAO Ji-Jun, HUANG Hui2, ZHU Wei, LI Jin-Shan2, XIAO He-Ming*,1.
Effects of Concentration and Temperature on Mechanical Properties of TATB/PCTFE PBX by Molecular Dynamics Simulation
[J]. Acta Chimica Sinica, 2005, 63(22): 2037-2041.
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