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CORC

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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
CO- and NO-Induced Disintegration and Redispersion of Three-Way Catalysts Rhodium; Palladium; and Platinum: An ab Initio Thermodynamics Study 期刊论文
journal of physical chemistry c, 2014, 卷号: 118, 期号: 1, 页码: 9588
作者:  BryanR.Goldsmith;  EvanD.Sanderson;  RunhaiOuyang;  Li WX(李微雪)
收藏  |  浏览/下载：12/0  |  提交时间：2015/11/16
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：16/0  |  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
Communication: Separable potential energy surfaces from multiplicative artificial neural networks 期刊论文
journal of chemical physics, 2014, 卷号: 141, 期号: 2, 页码: 021101
作者:  Koch, Werner;  Zhang, Dong H.
收藏  |  浏览/下载：15/0  |  提交时间：2015/11/16
Global analytical ab initio ground-state potential energy surface for the C(1 D)+H2reactive system 期刊论文
J. Chem. Phys., 2014, 期号: 140, 页码: 234301
作者:  Chunfang Zhang
收藏  |  浏览/下载：14/0  |  提交时间：2015/10/13
Framework Stability and Bronsted Acidity of Isomorphously Substituted Interlayer-Expanded Zeolite COE-4: A Density Functional Theory Study 期刊论文
chemphyschem, 2014, 卷号: 15, 期号: 8, 页码: 1700-1707
作者:  Li, Haichao;  Zhou, Danhong;  Tian, Dongxu;  Shi, Chuan;  Mueller, Ulrich
收藏  |  浏览/下载：29/0  |  提交时间：2015/11/16
Quasiclassical Trajectory Study of the C(1D) + H2 → CH + H Reactionon a New Global ab Initio Potential Energy Surface 期刊论文
J. Phys. Chem. A, 2014, 期号: 118, 页码: 4235
作者:  Ying Wu
收藏  |  浏览/下载：10/0  |  提交时间：2015/10/13
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：12/0  |  提交时间：2014/09/11

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