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CORC

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Ring-polymer molecular dynamics studies on the rate coefficient of the abstraction channel of hydrogen plus ethane, propane, and dimethyl ether 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 146, 期号: 2
作者:  Meng, Qingyong;  Chen, Jun
收藏  |  浏览/下载：17/0  |  提交时间：2019/06/20
Free energy profiles of cocaine esterase-cocaine binding process by molecular dynamics and potential of mean force simulations 期刊论文
CHEMICO-BIOLOGICAL INTERACTIONS, 2016, 卷号: 259, 页码: 142-147
作者:  Zheng, Fang;  Zhang, Yuxin;  Huang, Xiaoqin;  Han, Keli;  Zhan, Chang-Guo
收藏  |  浏览/下载：23/0  |  提交时间：2017/10/29
Theoretical Determination of the Rate Coefficient for the HO2 + HO2 -> H2O2+O-2 Reaction: Adiabatic Treatment of Anharmonic Torsional Effects 期刊论文
journal of physical chemistry a, 2012, 卷号: 116, 期号: 9, 页码: 2089-2100
作者:  Zhou, Dingyu D. Y.;  Han, Keli;  Zhang, Peiyu;  Harding, Lawrence B.;  Davis, Michael J.
收藏  |  浏览/下载：22/0  |  提交时间：2015/11/09
Reaction Mechanism and Chemoselectivity of Intermolecular Cycloaddition Reactions between Phenyl-Substituted Cyclopropenone Ketal and Methyl Vinyl Ketone 期刊论文
journal of organic chemistry, 2011, 卷号: 76, 期号: 9, 页码: 3086-3095
作者:  Qiao, Yan;  Chu, Tian-Shu
收藏  |  浏览/下载：8/0  |  提交时间：2015/11/12
Computational study on the addition of HCN to methanimine catalyzed by formamidine and formamide 期刊论文
journal of molecular structure-theochem, 2005, 卷号: 713, 期号: 1-3, 页码: 51-57
作者:  Li, J;  Han, KL;  He, GZ
收藏  |  浏览/下载：22/0  |  提交时间：2010/11/30
Freezing of NO gateway emission by a magnetic field and very long field-free lifetimes of perturbed NO(a(4)Pi) levels 期刊论文
journal of chemical physics, 1998, 卷号: 109, 期号: 1, 页码: 151-156
作者:  Mo, Y;  Ottinger, C;  Shen, G
收藏  |  浏览/下载：7/0  |  提交时间：2015/11/09

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