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A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system 期刊论文
journal of chemical physics, 2015, 卷号: 142, 期号: 20, 页码: 204302
作者:  Li, Jun;  Chen, Jun;  Zhao, Zhiqiang;  Xie, Daiqian;  Zhang, Dong H.
收藏  |  浏览/下载：22/0  |  提交时间：2015/11/16
Communication: Rigorous quantum dynamics of O + O-2 exchange reactions on an ab initio potential energy surface substantiate the negative temperature dependence of rate coefficients 期刊论文
journal of chemical physics, 2014, 卷号: 141, 期号: 8, 页码: 081102
作者:  Li, Yaqin;  Sun, Zhigang;  Jiang, Bin;  Xie, Daiqian;  Dawes, Richard
收藏  |  浏览/下载：23/0  |  提交时间：2015/11/16
Coriolis coupling effect of state-to-state quantum dynamics for He + HeH+ 期刊论文
theoretical chemistry accounts, 2014, 卷号: 133, 期号: 10, 页码: 1552
作者:  Wu, Dan;  Guo, Mingxing;  Wang, Yun;  Yin, Shuhui;  Sun, Zhigang
收藏  |  浏览/下载：16/0  |  提交时间：2015/11/16
Calculation of state-to-state differential and integral cross sections for atom-diatom reactions with transition-state wave packets 期刊论文
journal of chemical physics, 2014, 卷号: 140, 期号: 23, 页码: 234110
作者:  Zhao, Bin;  Sun, Zhigang;  Guo, Hua
收藏  |  浏览/下载：25/0  |  提交时间：2015/11/16
Mechanisms and Risk Assessments on the N-Nitration of N-Acetylhexahydro-s-triazines: Understanding the Preparation of RDX (2) 期刊论文
journal of physical chemistry a, 2013, 卷号: 117, 期号: 24, 页码: 5007-5014
作者:  Chen, Xiao-Fang;  Yang, Kun;  Wang, Bo-Zhou
收藏  |  浏览/下载：19/0  |  提交时间：2014/09/11
Chapter 8 Derivation of Rate Constants from Accurate Quantum Wave Packte Theory for Nonadiabatic and Adiabatic Chemical Reactions 期刊论文
reaction rate constant computations, 2013, 页码: 180
韩克利; 楚天舒
收藏  |  浏览/下载：9/0  |  提交时间：2014/09/11
A six-dimensional wave packet study of the vibrational overtone induced decomposition of hydrogen peroxide 期刊论文
journal of chemical physics, 2012, 卷号: 136, 期号: 16, 页码: 1643141
作者:  Wang, Chunrui;  Zhang, Dong H.;  Skodje, Rex T.
收藏  |  浏览/下载：23/0  |  提交时间：2013/10/11
Shape resonance in the H+D2O -> D+HOD reaction: a full-dimensional quantum dynamics study 期刊论文
chemical science, 2012, 卷号: 3, 期号: 1, 页码: 270-274
作者:  Fu, Bina;  Zhou, Yong;  Zhang, Dong H.
收藏  |  浏览/下载：11/0  |  提交时间：2013/10/11
Thermal rate constants of the pyrolysis of n-Heptane 期刊论文
combustion and flame, 2011, 卷号: 158, 期号: 12, 页码: 2314-2324
作者:  Ding, Junxia;  Zhang, Liang;  Han, Keli
收藏  |  浏览/下载：38/0  |  提交时间：2012/07/09
Thermal Rate Constants and ReaxFF MD simulation of the Pyrolysis of n-Heptane 会议论文
international conference on theoretical and high performance computational chemistry 2011, 西安, 2011-8-11
丁俊霞; 张亮; 韩克利
收藏  |  浏览/下载：13/0  |  提交时间：2013/10/10

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