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Non-adiabatic dynamics of isolated green fluorescent protein chromophore anion 期刊论文
journal of chemical physics, 2014, 卷号: 141, 期号: 23, 页码: 235101
作者:  Zhao, Li;  Zhou, Pan-Wang;  Li, Bin;  Gao, Ai-Hua;  Han, Ke-Li
收藏  |  浏览/下载：17/0  |  提交时间：2015/11/16
Efficient Fourth-Order Split Operator for Solving the Triatomic Reactive Schrodinger Equation in the Time-Dependent Wavepacket Approach 期刊论文
journal of physical chemistry a, 2014, 卷号: 118, 期号: 42, 页码: 9801-9810
作者:  Li, Wentao;  Zhang, Dong H.;  Sun, Zhigang
收藏  |  浏览/下载：19/0  |  提交时间：2015/11/16
Six-dimensional potential energy surface of the dissociative chemisorption of HCl on Au(111) using neural networks 期刊论文
science china-chemistry, 2014, 卷号: 57, 期号: 1, 页码: 147-155
作者:  Liu TianHui;  Fu BiNa;  Zhang Dong H
收藏  |  浏览/下载：22/0  |  提交时间：2014/09/11
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：17/0  |  提交时间：2014/09/11
Fundamental Reaction Pathway and Free Energy Profile for Butyrylcholinesterase-Catalyzed Hydrolysis of Heroin 期刊论文
biochemistry, 2013, 卷号: 52, 期号: 37, 页码: 6467-6479
作者:  Qiao, Yan;  Han, Keli;  Zhan, Chang-Guo
收藏  |  浏览/下载：18/0  |  提交时间：2014/09/11
Fluoride Anion Sensing Mechanism of 2-Ureido-4[1H]-pyrimidinone Quadruple Hydrogen-Bonded Supramolecular Assembly: Photoinduced Electron Transfer and Partial Configuration Change 期刊论文
journal of physical chemistry b, 2013, 卷号: 117, 期号: 17, 页码: 5212-5221
作者:  Chen, Jun-Sheng;  Zhou, Pan-Wang;  Li, Guang-Yue;  Chu, Tian-Shu;  He, Guo-Zhong
收藏  |  浏览/下载：26/0  |  提交时间：2014/09/11
Initial Processes of Proton Transfer in Salicylideneaniline Studied by Time-Resolved Photoelectron Spectroscopy 期刊论文
journal of physical chemistry a, 2013, 卷号: 117, 期号: 14, 页码: 2971-2979
作者:  Sekikawa, Taro;  Schalk, Oliver;  Wu, Guorong;  Boguslavskiy, Andrey E.;  Stolow, Albert
收藏  |  浏览/下载：17/0  |  提交时间：2014/09/11
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
Investigating the Structural Origin of Trpzip2 Temperature Dependent Unfolding Fluorescence Line Shape Based on a Markov State Model Simulation 期刊论文
journal of physical chemistry b, 2012, 卷号: 116, 期号: 42, 页码: 12669-12676
作者:  Song, Jian;  Gao, Fang;  Cui, Raymond Z.;  Shuang, Feng;  Liang, Wanzhen
收藏  |  浏览/下载：17/0  |  提交时间：2013/10/11
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：20/0  |  提交时间：2013/10/11

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