QQ客服 官方微博 反馈留言

浏览/检索结果: 共12条，第1-10条 帮助 限定条件 学科主题：物理化学    内容类型：期刊论文     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Calculation of state-to-state cross sections for triatomic reaction by the multi-configuration time-dependent Hartree method 期刊论文 journal of chemical physics, 2014, 卷号: 140, 期号: 16, 页码: 164108 作者:  Zhao, Bin;  Zhang, Dong-H;  Lee, Soo-Y;  Sun, Zhigang 收藏  |  浏览/下载：22/0  |  提交时间：2015/11/16 Cation effect in the ionic solution optical Kerr effect measurements: A simulation study 期刊论文 journal of chemical physics, 2014, 卷号: 140, 期号: 5, 页码: 054507 作者:  Zhang, Ruiting;  Zhuang, Wei 收藏  |  浏览/下载：22/0  |  提交时间：2014/09/11 Effect of Ion Pairing on the Solution Dynamics Investigated by the Simulations of the Optical Kerr Effect and the Dielectric Relaxation Spectra 期刊论文 journal of physical chemistry b, 2013, 卷号: 117, 期号: 49, 页码: 15395-15406 作者:  Zhang, Ruiting;  Zhuang, Wei 收藏  |  浏览/下载：17/0  |  提交时间：2014/09/11 Theoretical study on the structures and properties of mixtures of urea and choline chloride 期刊论文 journal of molecular modeling, 2013, 卷号: 19, 期号: 6, 页码: 2433-2441 作者:  Sun, Hui;  Li, Yan;  Wu, Xue;  Li, Guohui 收藏  |  浏览/下载：13/0  |  提交时间：2014/09/11 Deep eutectic solvent  Dynamic structure  Property  Molecular dynamic simulation   Theoretical Elucidation of the Origin for Assembly of the DAP12 Dimer with Only One NKG2C in the Lipid Membrane 期刊论文 journal of physical chemistry b, 2013, 卷号: 117, 期号: 17, 页码: 4789-4797 作者:  Sun, Hui;  Chu, Huiying;  Fu, Ting;  Shen, Hujun;  Li, Guohui 收藏  |  浏览/下载：14/0  |  提交时间：2014/09/11 Coarse-grained simulations for organic molecular liquids based on Gay-Berne and electric multipole potentials 期刊论文 journal of molecular modeling, 2013, 卷号: 19, 期号: 2, 页码: 551-558 作者:  Xu, Peijun;  Shen, Hujun;  Yang, Lu;  Ding, Yang;  Li, Beibei 收藏  |  浏览/下载：31/0  |  提交时间：2014/09/11 Ab initio QM  AMOEBA force field  Coarse-grained model  Diffusion coefficient  Radial distribution function   Molecular Conformations and Dynamics on Surfaces of Gold Nanoparticles Probed with Multiple-Mode Multiple-Dimensional Infrared Spectroscopy 期刊论文 journal of physical chemistry c, 2012, 卷号: 116, 期号: 14, 页码: 7913-7924 作者:  Bian, Hongtao;  Li, Jiebo;  Chen, Hailong;  Yuan, Kaijun;  Wen, Xiewen 收藏  |  浏览/下载：21/0  |  提交时间：2013/10/11 A computational analysis of interaction mechanisms of peptide and non-peptide inhibitors with MDMX based on molecular dynamics simulation 期刊论文 computational and theoretical chemistry, 2012, 卷号: 984, 页码: 43-50 作者:  Cheng, Wei-yuan;  Chen, Jian-zhong;  Liang, Zhi-qiang;  Li, Guo-hui;  Yi, Chang-hong 收藏  |  浏览/下载：12/0  |  提交时间：2013/10/11 MD simulation  Computational alanine scanning  MM-GBSA method  p53-MDMX interaction  Cross correlation analysis   Frequency Distribution of the Amide-I Vibration Sorted by Residues in Amyloid Fibrils Revealed by 2D-IR Measurements and Simulations 期刊论文 journal of physical chemistry b, 2012, 卷号: 116, 期号: 10, 页码: 3322-3330 作者:  Falvo, Cyril;  Zhuang, Wei;  Kim, Yung Sam;  Axelsen, Paul H.;  Hochstrasser, Robin M. 收藏  |  浏览/下载：13/0  |  提交时间：2013/10/11 Fabrication Process Simulation of a PEM Fuel Cell Catalyst Layer and Its Microscopic Structure Characteristics 期刊论文 journal of the electrochemical society, 2012, 卷号: 159, 期号: 3, 页码: b308-b314 作者:  Xiao, Yu;  Dou, Meiling;  Yuan, Jinliang;  Hou, Ming;  Song, Wei 收藏  |  浏览/下载：10/0  |  提交时间：2013/10/11