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CORC

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Dielectric properties of pyridine derivative-water clusters: Molecular dynamics simulation 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 241, 页码: 984-991
作者:  Liu, Jianchuan;  Jia, Guozhu;  Lu, Zhou
收藏  |  浏览/下载：20/0  |  提交时间：2018/06/15
Development of simulation approach for two-dimensional chiral molecular self-assembly driven by hydrogen bond at the liquid/solid interface 期刊论文
SURFACE SCIENCE, 2017, 卷号: 663, 页码: 71-80
作者:  Qin, Yuan;  Yao, Man;  Hao, Ce;  Wan, Lijun;  Wang, Yunhe
收藏  |  浏览/下载：14/0  |  提交时间：2018/04/13
Vapor-liquid coexisting morphology of all-atom water model through generalized isothermal isobaric ensemble molecular dynamics simulation 期刊论文
ACTA PHYSICA SINICA, 2017, 卷号: 66, 期号: 13
作者:  Yin Ling-Kang;  Xu Shun;  Jeong, Seongmin;  Jho, Yongseok;  Wang Jian-Jun
收藏  |  浏览/下载：28/0  |  提交时间：2018/05/25
Theoretical Investigations on the Roles of Intramolecular Structure Distortion versus Irregular Intermolecular Packing in Optical Spectra of 6T Nanoparticles 期刊论文
CHEMISTRY OF MATERIALS, 2017, 卷号: 29, 期号: 6, 页码: 2513-2520
作者:  Li, Wenqiang;  Peng, Qian;  Ma, Huili;  Wen, Jin;  Ma, Jing
收藏  |  浏览/下载：17/0  |  提交时间：2018/01/12
Dynamic phase change and local structures in IL-containing mixtures: classical MD simulations and experiments 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 4, 页码: 3028-3038
作者:  Wu, Yang;  Wang, Xia;  Liu, Qiaozhen;  Ma, Xiaoxue;  Fang, Dawei
收藏  |  浏览/下载：17/0  |  提交时间：2018/01/12
Dissipative particle dynamics thermostat: a novel thermostat for molecular dynamics simulation of liquid crystals with Gay-Berne potential 期刊论文
SCIENCE CHINA-CHEMISTRY, 2015, 卷号: 58, 期号: 4, 页码: 694-707
作者:  Ouyang, Yuting;  Hao, Liang;  Ma, Yanping;  Guo, Hongxia
收藏  |  浏览/下载：20/0  |  提交时间：2015/11/03
Transferability of the coarse-grained potentials for trans-1,4-polybutadiene 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 卷号: 17, 期号: 47, 页码: 31693-31706
作者:  Gao, Peiyuan;  Guo, Hongxia
收藏  |  浏览/下载：16/0  |  提交时间：2016/01/12
Microstructure and Intermolecular Interactions of [Bmim][PF6]+Water+Alcohol Systems: A Molecular Dynamics Simulation Study 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2014, 卷号: 30, 期号: 12, 页码: 2210-2215
作者:  Mei Qing-Qing;  Hou Min-Qiang;  Ning Hui;  Ma Jun;  Yang De-Zhong
收藏  |  浏览/下载：14/0  |  提交时间：2019/04/09
Study of high density polyethylene (HDPE) pyrolysis with reactive molecular dynamics 期刊论文
POLYMER DEGRADATION AND STABILITY, 2014, 卷号: 104, 页码: 62-70
作者:  Liu, Xiaolong;  Li, Xiaoxia;  Liu, Jian;  Wang, Ze;  Kong, Bin
收藏  |  浏览/下载：15/0  |  提交时间：2019/04/09
Theoretical study of sum-frequency vibrational spectroscopy on limonene surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 140, 期号: 10
作者:  Zheng, Ren-Hui;  Wei, Wen-Mei;  Liu, Hao;  Jing, Yuan-Yuan;  Wang, Bo-Yang
收藏  |  浏览/下载：17/0  |  提交时间：2019/04/09

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