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浏览/检索结果: 共17条，第1-10条 帮助 限定条件 学科主题：物理化学     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 Ion-Velocity Map Imaging Study of Photodissociation Dynamics of Acetaldehyde 期刊论文 chinese journal of chemical physics, 2014, 卷号: 27, 期号: 3, 页码: 249-255 作者:  Zhang, Zhi-guo;  Chen, Zhi-chao;  Zhan, Cui-mei;  Jin, Yan-ling;  Zhang, Qun 收藏  |  浏览/下载：21/0  |  提交时间：2015/11/16 Ion-velocity map imaging  Photodissociation dynamics  Acetaldehyde   Photochemical dynamics simulations for trans-cis photoisomerizations of azobenzene and bridged azobenzene 期刊论文 computational and theoretical chemistry, 2014, 卷号: 1031, 期号: 1, 页码: 13-21 作者:  Gao, Ai-Hua;  Li, Bin;  Zhang, Pei-Yu;  Liu, Jianyong 收藏  |  浏览/下载：13/0  |  提交时间：2014/09/11 Azobenzene  Bridged azobenzene  Surface hopping method  Dynamics simulations  Zhu-Nakamura theory   Insight into the binding mode and the structural features of the pyrimidine derivatives as human A(2A) adenosine receptor antagonists 期刊论文 biosystems, 2014, 卷号: 115, 期号: 1, 页码: 13-22 作者:  Zhang, Lihui;  Liu, Tianjun;  Wang, Xia;  Wang, Jinan;  Li, Guohui 收藏  |  浏览/下载：15/0  |  提交时间：2015/11/16 Pyrimidine derivatives  Human A(2A) adenosine receptor  Molecular docking  Molecular dynamics  Thermodynamic analysis  3D-QSAR   UNDERSTANDING THE MOLECULAR MECHANISM OF BINDING MODES OF AURORA A INHIBITORS BY LONG TIME SCALE GPU DYNAMICS 期刊论文 journal of theoretical & computational chemistry, 2013, 卷号: 12, 期号: 8, 页码: 1341003 作者:  Fu, Ting;  Wu, Xue;  Xiu, Zhilong;  Wang, Jinguang;  Yin, Liu 收藏  |  浏览/下载：25/0  |  提交时间：2014/09/11 Aurora A  molecular dynamics simulations  MM-PB/GBSA   Nonadiabatic dynamics study of bridged-azobenzene by the time-dependent density functional tight-binding method 期刊论文 computational and theoretical chemistry, 2013, 卷号: 1023, 页码: 10-18 作者:  Fan, Guohong;  Liu, Jianyong;  He, Guozhong 收藏  |  浏览/下载：15/0  |  提交时间：2014/09/11 Nonadiabatic dynamics  Photo-isomerization  Zhu-Nakamura theory  Bridged-azobenzene  Time-dependent density functional tight-binding method   Probing Quantum Dynamics of Elementary Chemical Reactions via Accurate Potential Energy Surfaces 期刊论文 zeitschrift fur physikalische chemie-international journal of research in physical chemistry & chemical physics, 2013, 卷号: 227, 期号: 9-11, 页码: 1247-1265 作者:  Yang, Xueming;  Zhang, Dong Hui 收藏  |  浏览/下载：19/0  |  提交时间：2014/09/11 Potential Energy Surface  Reaction Dynamics  Elementary Chemical Reaction  Transition State   A simple but effective modeling strategy for structural properties of non-heme Fe(II) sites in proteins: Test of force field models and application to proteins in the AlkB family 期刊论文 journal of computational chemistry, 2013, 卷号: 34, 期号: 19, 页码: 1620-1635 作者:  Pang, Xueqin;  Han, Keli;  Cui, Qiang 收藏  |  浏览/下载：16/0  |  提交时间：2014/09/11 DNA repair enzymes  molecular dynamics  non-heme iron  crystal packing  protein-DNA interaction   Quantum dynamics study on the exchange H + OH+ reaction 期刊论文 computational and theoretical chemistry, 2013, 卷号: 1012, 页码: 1-7 作者:  Xu, Wenwu;  Li, Wenliang;  Zhang, Peiyu 收藏  |  浏览/下载：22/0  |  提交时间：2014/09/11 Quantum  Dynamics  Wavepacket  Potential  Surface  CS   Exploring the Relationship between Sequences, Structures, Dynamical Behaviors and Functions of New Type Protein Drugs: DARPins 期刊论文 current pharmaceutical design, 2013, 卷号: 19, 期号: 12, 页码: 2308-2317 作者:  Wu, Xue;  Shi, Yue;  Ren, Pengyu;  Wang, Deping;  Li, Guohui 收藏  |  浏览/下载：20/0  |  提交时间：2014/09/11 Molecular dynamics simulation DARPins protein drug  dynamical cross correlation stability   Molecular dynamics simulation exploration of unfolding and refolding of a ten-amino acid miniprotein 期刊论文 amino acids, 2012, 卷号: 43, 期号: 2, 页码: 557-565 作者:  Zhao, Guang-Jiu;  Cheng, Chang-Li 收藏  |  浏览/下载：19/0  |  提交时间：2013/10/11 Protein folding  Protein unfolding  Hydrogen bond  Beta-hairpin  Steered molecular dynamics