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Kinetics of reaction RH + O-2 = R + HO2 (RH = normal C1-C14 alkanes): A DFT investigation 期刊论文
FUEL, 2018, 卷号: 234, 页码: 1165-1172
作者:  Fan, Hongjun;  Xu, Wei
收藏  |  浏览/下载：27/0  |  提交时间：2019/06/20
Ring-Polymer Molecular Dynamics with Coarse-Grained Treatment of the Rate Coefficients of Chlorine Atom Reactions with Methane, Ethane, and Propane 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 42, 页码: 8320-8325
作者:  Meng, Qingyong
收藏  |  浏览/下载：18/0  |  提交时间：2019/06/20
Ring-polymer molecular dynamics with coarse-grained treatment of the rate coefficients of chlorine atom reactions with methane, ethane, and propane 期刊论文
Journal of physical chemistry a, 2018, 卷号: 122, 期号: 42, 页码: 8320-8325
作者:  Meng, Qingyong
收藏  |  浏览/下载：30/0  |  提交时间：2019/05/08
Role of ReOx Species in Ni-Re/Al2O3 Catalyst for Amination of Monoethanolamine 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 期号: 40, 页码: 23011-23025
作者:  Jiang, Zheng;  Ding, Yunjie;  Ma, Lei;  Sun, Keju;  Luo, Mi
收藏  |  浏览/下载：32/0  |  提交时间：2019/06/20
A neural network potential energy surface for the F + CH4 reaction including multiple channels based on coupled cluster theory 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 14, 页码: 9090-9100
作者:  Xu, Xin;  Zhang, Dong H.;  Chen, Jun;  Liu, Shu
收藏  |  浏览/下载：14/0  |  提交时间：2019/06/20
A new potential energy surface of the OH2+ system and state-to-state quantum dynamics studies of the O++ H-2 reaction 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 2, 页码: 1039-1050
作者:  Li, Wentao;  Yuan, Jiuchuang;  Yuan, Meiling;  Zhang, Yong;  Yao, Minghai
收藏  |  浏览/下载：22/0  |  提交时间：2019/06/20
Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 27, 页码: 2326-2334
作者:  Xu, Xin;  Chen, Jun;  Su, Neil Qiang;  Zhang, Dong H.
收藏  |  浏览/下载：13/0  |  提交时间：2017/12/19
Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 27, 页码: 2326-2334
作者:  Chen, Jun;  Su, Neil Qiang;  Xu, Xin;  Zhang, Dong H.
收藏  |  浏览/下载：12/0  |  提交时间：2017/12/19
Metal-Free Oxidation of Glycerol over Nitrogen-Containing Carbon Nanotubes 期刊论文
CHEMSUSCHEM, 2017, 卷号: 10, 期号: 15, 页码: 3030-3034
作者:  Gupta, Neeraj;  Khavryuchenko, Oleksiy;  Villa, Alberto;  Su, Dangsheng
收藏  |  浏览/下载：14/0  |  提交时间：2017/12/19
High-efficiency oxidative esterification of furfural to methylfuroate with a non-precious metal Co-N-C/MgO catalyst 期刊论文
CHINESE JOURNAL OF CATALYSIS, 2017, 卷号: 38, 期号: 7, 页码: 1148-1154
作者:  Huo, Na;  Ma, Hong;  Wang, Xinhong;  Wang, Tianlong;  Wang, Gang
收藏  |  浏览/下载：17/0  |  提交时间：2017/10/29

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