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Dynamic Nuclear Polarization Magic-Angle Spinning Nuclear Magnetic Resonance Combined with Molecular Dynamics Simulations Permits Detection of Order and Disorder in Viral Assemblies 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 卷号: 123, 期号: 24, 页码: 5048-5058
作者:  Gupta, Rupal;  Zhang, Huilan;  Lu, Manman;  Hou, Guangjin;  Caporini, Marc
收藏  |  浏览/下载：61/0  |  提交时间：2019/12/02
Mechanism and transfer behavior of ions in Nafion membranes under alkaline media 期刊论文
JOURNAL OF MEMBRANE SCIENCE, 2018, 卷号: 566, 页码: 8-14
作者:  Xu, Wenbin;  Li, Xianfeng;  Hu, Jing;  Zhang, Huamin;  Yuan, Zhizhang
收藏  |  浏览/下载：70/0  |  提交时间：2019/06/20
Six-dimensional quantum dynamics for the dissociative chemisorption of hcl on rigid ag(111) on three potential energy surfaces with different density functionals 期刊论文
Journal of chemical physics, 2018, 卷号: 149, 期号: 17, 页码: 8
作者:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.
收藏  |  浏览/下载：39/0  |  提交时间：2019/05/08
Molecular dynamics simulation of the high-temperature pyrolysis of methylcyclohexane 期刊论文
FUEL, 2018, 卷号: 217, 页码: 185-192
作者:  Liu, Yalan;  Ding, Junxia;  Han, Ke-Li
收藏  |  浏览/下载：22/0  |  提交时间：2019/06/20
A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids 期刊论文
MOLECULES, 2018, 卷号: 23, 期号: 1
作者:  Chu, Huiying;  Peng, Xiangda;  Li, Yan;  Zhang, Yuebin;  Li, Guohui
收藏  |  浏览/下载：27/0  |  提交时间：2019/06/20
A theoretical study on the selective adsorption behavior of dimethyl ether and carbon monoxide on H-FER zeolites 期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 684, 页码: 279-284
作者:  Feng, Pei;  Zhang, Guanqun;  Zang, Kailu;  Li, Xiujie;  Xu, Longya
收藏  |  浏览/下载：18/0  |  提交时间：2017/12/19
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：12/0  |  提交时间：2017/12/19
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;  Lu, Zhou;  Jia, Guozhu
收藏  |  浏览/下载：16/0  |  提交时间：2017/12/19
HCl dissociating on a rigid Au(111) surface: A six-dimensional quantum mechanical study on a new potential energy surface based on the RPBE functional 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 146, 期号: 16
作者:  Fu, Bina;  Liu, Tianhui;  Zhang, Dong H.
收藏  |  浏览/下载：13/0  |  提交时间：2017/10/29
Emergence of Solvent-Separated Na+-Cl- Ion Pair in Salt Water: Photoelectron Spectroscopy and Theoretical Calculations 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2017, 卷号: 8, 期号: 1, 页码: 13-20
作者:  Xu, Hong-Guang;  Zheng, Wei-Jun;  Hou, Gao-Lei;  Liu, Cheng-Wen;  Li, Ren-Zhong
收藏  |  浏览/下载：16/0  |  提交时间：2017/10/29

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