| [1] |
Liu Zhenyu, Gan Li-Hua.
Molecular Dynamics Simulation of Acetylene Pyrolysis into Fullerenes
[J]. Acta Chimica Sinica, 2023, 81(5): 502-510.
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| [2] |
Yizhi Han, Jianhui Lan, Xue Liu, Weiqun Shi.
Advances in Molecular Dynamics Studies of Molten Salts Based on Machine Learning
[J]. Acta Chimica Sinica, 2023, 81(11): 1663-1672.
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| [3] |
Ke Zhao, Xiayu Cheng, Xuexue Ma, Minghui Geng.
Mechanism of Two-photon Absorption Enhancement for a Piperazine-based Zinc Ion Probe
[J]. Acta Chimica Sinica, 2023, 81(10): 1371-1378.
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| [4] |
Yingzhe Du, Heng Zhang, Shiling Yuan.
Molecular Dynamics Simulation of Thermal Conductivity of Al2O3/PDMS Composites
[J]. Acta Chimica Sinica, 2021, 79(6): 787-793.
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| [5] |
Haohao Fu, Haochuan Chen, Hong Zhang, Xueguang Shao, Wensheng Cai.
Accurate Estimation of Protein-ligand Binding Free Energies Based on Geometric Restraints
[J]. Acta Chimica Sinica, 2021, 79(4): 472-480.
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| [6] |
Chang-An Liu, Shi-Bo Hong, Bei Li.
Molecular Dynamics Simulation of the Stability Behavior of Graphene in Glycerol/Urea Solvents in Liquid-Phase Exfoliation
[J]. Acta Chimica Sinica, 2021, 79(4): 530-538.
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| [7] |
Zun Liang, Xin Zhang, Songtai Lv, Hongtao Liang, Yang Yang.
Crystal-Melt Interface Kinetics and the Capillary Wave Dynamics of the Monolayer Confined Ice-Water Coexistence Lines
[J]. Acta Chimica Sinica, 2021, 79(1): 108-118.
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| [8] |
Fan Qin, Liang Hongtao, Xu Xianqi, Lv Songtai, Liang Zun, Yang Yang.
Study of the Dielectric Property of Monolayer Confined Water Using A Polarizable Model
[J]. Acta Chimica Sinica, 2020, 78(6): 547-556.
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| [9] |
Gao Simeng, Xia Kun, Kang Zhihong, Nai Yongning, Yuan Ruixia, Niu Ruixia.
Molecular Dynamics Simulation of “Quasi-Gemini” Anionic Surfactant at the Decane/Water Interface
[J]. Acta Chimica Sinica, 2020, 78(2): 155-160.
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| [10] |
Yang, Pengli, Wang, Zhenxing, Liang, Zun, Liang, Hongtao, Yang, Yang.
A Molecular Dynamics Simulation Study of the Effect of External Electric Field on the Water Surface Potential
[J]. Acta Chimica Sinica, 2019, 77(10): 1045-1053.
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| [11] |
Du Han, Liang Hongtao, Yang Yang.
Molecular Dynamics Simulation of Monolayer Confined Ice-Water Phase Equilibrium
[J]. Acta Chim. Sinica, 2018, 76(6): 483-490.
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| [12] |
Yang Zhen, Xue Yijiang, He Yuanhang.
Thermal Sensitivity of CL20/DNB Co-crystal Research via Molecular Dynamics Simulations
[J]. Acta Chim. Sinica, 2016, 74(7): 612-619.
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| [13] |
Zhang Chuan, Zhang Lujia, Zhang Yang, Huang He, Hu Yi.
Study on the Stability and Enzymatic Property Improvement of Porcine Pancreas Lipase Modified by Ionic Liquids Using Molecular Simulation
[J]. Acta Chim. Sinica, 2016, 74(1): 74-80.
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| [14] |
Sun Ting, Liu Qiang, Xiao Jijun, Zhao Feng, Xiao Heming.
Molecular Dynamics Simulation of Interface Interactions and Mechanical Properties of CL-20/HMX Cocrystal and Its Based PBXs
[J]. Acta Chimica Sinica, 2014, 72(9): 1036-1042.
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| [15] |
Wang Juan, Xia Shuwei, Yu Liangmin.
Hydration Structure of Pb(II) from Density Functional Theory Studies and First-Principles Molecular Dynamics
[J]. Acta Chimica Sinica, 2013, 71(9): 1307-1312.
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