[1] |
Walter POLKOSNIK,Lou MASSA.
Kohn-Sham Density Matrix and the Kernel Energy Method
[J]. Acta Phys. -Chim. Sin., 2018, 34(6): 656-661.
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[2] |
QIAN Hai-Cheng, KANWAL Shahid, JIA Qing-Zhu, WANG Qiang, JI Hui-Fen, ZHU Zhi-Chen, XIA Shu-Qian, MA Pei-Sheng.
Norm Index-Based Quantitative Structure-Activity Relationship to Predict β-Cyclodextrin Complex Binding Constants
[J]. Acta Phys. -Chim. Sin., 2015, 31(5): 893-898.
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[3] |
Wei. YANG,Xiao-Lei. LI,Chang-Sheng. WANG.
Dependence of the Many-Body Interaction Strength in Water Clusters (H2O)n on the Water-Water Distance
[J]. Acta Phys. -Chim. Sin., 2015, 31(12): 2285-2293.
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[4] |
ZHOU Xiao-Ying, XI Wen-Hui, WEI Guang-Hong.
Molecular Dynamics Simulations on the Binding of Fullerene to Amyloid-β Oligomers
[J]. Acta Phys. -Chim. Sin., 2014, 30(8): 1587-1596.
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[5] |
LIU Shuai, LI Shu-Shi, LIU Dong-Jia, WANG Chang-Sheng.
Site Preferences of Adenine Hydrogen Bonding to Peptide Amides
[J]. Acta Phys. -Chim. Sin., 2013, 29(12): 2551-2557.
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[6] |
WANG You-Juan, ZHAO Dong-Bo, RONG Chun-Ying, LIU Shu-Bin.
Towards Understanding the Origin and Nature of the Conformational Stability of Water Clusters:a Density Functional Theory and Quantum Molecular Dynamics Study
[J]. Acta Phys. -Chim. Sin., 2013, 29(10): 2173-2179.
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[7] |
WANG Chang-Sheng, LIU Peng, YU Nan.
Site-Preference of Uracil and Thymine Hydrogen Bonding to Quercetin
[J]. Acta Phys. -Chim. Sin., 2013, 29(06): 1173-1182.
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[8] |
ZHOU Hao, MAO Jia, WANG Bi-Yao, ZHU Quan, WANG Jian-Li, LI Xiang-Yuan.
Pyrolysis of n-Decane and Dimethylbenzene under Supercritical Pressure
[J]. Acta Phys. -Chim. Sin., 2013, 29(04): 689-694.
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[9] |
ZHANG Jin-Li, HE Zheng-Hua, HAN You, LI Wei, WU Jiang-Jie-Xing, GAN Zhong-Xue, GU Jun-Jie.
Nucleation and Growth of Na2CO3 Clusters in Supercritical Water Using Molecular Dynamics Simulation
[J]. Acta Phys. -Chim. Sin., 2012, 28(07): 1691-1700.
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[10] |
LIU Jiao, YAO Ping, NI Zhe-Ming, LI Yuan, SHI Wei.
Jahn-Teller Effect of Cu-Mg-Al Layered Double Hydroxides
[J]. Acta Phys. -Chim. Sin., 2011, 27(09): 2088-2094.
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[11] |
LI Miao-Miao, SHEN Rui-Qi, LI Feng-Sheng.
Molecular Dynamics Simulation of Binding Energies, Mechanical Properties and Energetic Performance of the RDX/BAMO Propellant
[J]. Acta Phys. -Chim. Sin., 2011, 27(06): 1379-1385.
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[12] |
LIU Yan, WANG Fang-Fang, YU Chun-Yang, LIU Cui, Gong Li-Dong, YANG Zhong-Zhi.
Structures and Binding Energies of Sr2+/Ba2+-Water Systems by Ab initio and ABEEM/MM Method
[J]. Acta Phys. -Chim. Sin., 2011, 27(02): 379-387.
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[13] |
ZHAO Yong-Ping, AI Hong-Qi, CHEN Jin-Peng, YANG Ai-Bin, QI Zhong-Nan.
Stability of Complexes Combined by Metal Ions (Na+, K+, Ca2+, Mg2+, Zn2+) and Guanine Isomers
[J]. Acta Phys. -Chim. Sin., 2010, 26(12): 3322-3328.
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[14] |
ZHAO Zhi-Juan, LIU Fen, ZHAO Liang-Zhong.
XPS Study of the Thickness Nanosize Effect for Ultrathin SiO2 on Si Substrate
[J]. Acta Phys. -Chim. Sin., 2010, 26(11): 3030-3034.
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[15] |
GONG Xiao-Xia, DU Ji-Guang, JIANG Gang.
Structures and Stabilities of PbmTen (m+n≤6) Clusters
[J]. Acta Phys. -Chim. Sin., 2010, 26(06): 1669-1675.
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