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CORC

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Theoretical Investigations of Rate Coefficients of H + H2O2 -> OH + H2O on a Full-Dimensional Potential Energy Surface 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 18, 页码: 3969-3976
作者:  Lu, Xiaoxiao;  Wang, Xingan;  Fu, Bina;  Zhang, Donghui
收藏  |  浏览/下载：37/0  |  提交时间：2019/06/25
A new potential energy surface of the liho+ system and the dynamics studies of the o + lih+ reaction 期刊论文
Chemical physics letters, 2019, 卷号: 715, 页码: 123-128
作者:  He, Di;  Zhang, Tianqi;  Yuan, Jiuchuan;  Wang, Meishan
收藏  |  浏览/下载：48/0  |  提交时间：2019/05/08
Rate coefficients of the H + H2O2 -> H-2 + HO2 reaction on an accurate fundamental invariant-neural network potential energy surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 149, 期号: 17, 页码: 7
作者:  Lu, Xiaoxiao;  Meng, Qingyong;  Wang, Xingan;  Fu, Bina;  Zhang, Dong H.
收藏  |  浏览/下载：16/0  |  提交时间：2019/06/20
Rate coefficients of the h + h2o2 -> h-2 + ho2 reaction on an accurate fundamental invariant-neural network potential energy surface 期刊论文
Journal of chemical physics, 2018, 卷号: 149, 期号: 17, 页码: 7
作者:  Lu, Xiaoxiao;  Meng, Qingyong;  Wang, Xingan;  Fu, Bina;  Zhang, Dong H.
收藏  |  浏览/下载：45/0  |  提交时间：2019/05/08
Universal kinetic solvent effects in acid-catalyzed reactions of biomass-derived oxygenates 期刊论文
ENERGY & ENVIRONMENTAL SCIENCE, 2018, 卷号: 11, 期号: 3, 页码: 617-628
作者:  Van Lehn, Reid C.;  Walker, Theodore W.;  Chew, Alex K.;  Li, Huixiang;  Demir, Benginur
收藏  |  浏览/下载：21/0  |  提交时间：2019/06/20
A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids 期刊论文
MOLECULES, 2018, 卷号: 23, 期号: 1
作者:  Chu, Huiying;  Peng, Xiangda;  Li, Yan;  Zhang, Yuebin;  Li, Guohui
收藏  |  浏览/下载：27/0  |  提交时间：2019/06/20
Polarizable force field development for lipids and their efficient applications in membrane proteins 期刊论文
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2017, 卷号: 7, 期号: 5
作者:  Cao, Liaoran;  Peng, Xiangda;  Li, Guohui;  Chu, Huiying
收藏  |  浏览/下载：19/0  |  提交时间：2017/12/19
Polarizable force field development for lipids and their efficient applications in membrane proteins 期刊论文
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2017, 卷号: 7, 期号: 5
作者:  Peng, Xiangda;  Chu, Huiying;  Cao, Liaoran;  Li, Guohui
收藏  |  浏览/下载：15/0  |  提交时间：2017/12/19
Effect of reagent vibrational excitation on reaction of H + CH+ -> C+ + H-2 期刊论文
ACTA PHYSICA SINICA, 2017, 卷号: 66
作者:  Tang Xiao-Ping;  He Xiao-Hu;  Zhou Can-Hua;  Yang Yang
收藏  |  浏览/下载：20/0  |  提交时间：2017/10/29
Multiscale Simulations on Spectral Tuning and the Photoisomerization Mechanism in Fluorescent RNA Spinach 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 卷号: 12, 期号: 11, 页码: 5453-5464
作者:  Chung, Lung Wa;  Li, Xin;  Li, Guohui
收藏  |  浏览/下载：18/0  |  提交时间：2019/06/20

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