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CORC

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Quantum instanton calculation of rate constant for CH4+OH -> CH3+H2O reaction: Torsional anharmonicity and kinetic isotope effect 期刊论文
http://dx.doi.org/10.1063/1.4768874, 2012
Wang, Wenji; Zhao, Yi; 赵仪
收藏  |  浏览/下载：2/0  |  提交时间：2015/07/22
A Frontier Molecular Orbital Theory Approach to Understanding the Mayr Equation and to Quantifying Nucleophilicity and Electrophilicity by Using HOMO and LUMO Energies 期刊论文
ASIAN JOURNAL OF ORGANIC CHEMISTRY, 2012, 卷号: 1, 期号: 4, 页码: 336-345
作者:  Zhuo, Lian-Gang;  Liao, Wei;  Yu, Zhi-Xiang
收藏  |  浏览/下载：20/0  |  提交时间：2019/06/20
Crystal structure refinements of borate dimorphs inderite and kurnakovite using B-11 and Mg-25 nuclear magnetic resonance and DFT calculations 期刊论文
AMERICAN MINERALOGIST, 2012, 卷号: 97, 期号: 11-12, 页码: 1858-1865
作者:  Zhou, Bing;  Michaelis, Vladimir K.;  Pan, Yuanming;  Yao, Yefeng;  Tait, Kimberly T.
收藏  |  浏览/下载：16/0  |  提交时间：2018/06/20
Vibrational Spectra and Quantum Calculations of Ethylbenzene 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2012, 卷号: 25, 期号: 5, 页码: 526-532
作者:  Wang, Jian;  Qiu, Xue-jun;  Wang, Yan-mei;  Zhang, Song;  Zhang, Bing
收藏  |  浏览/下载：15/0  |  提交时间：2015/06/25
Quantum wave packet dynamics study of the S(P-3) + H-2 reaction on the lowest SH2(1(3)A '') state 期刊论文
computational and theoretical chemistry, 2012, 卷号: 997, 页码: 83-87
作者:  Lv, Shuang-Jiang;  Zhang, Pei-Yu;  Zhao, Meiyu;  He, Guo-Zhong
收藏  |  浏览/下载：24/0  |  提交时间：2015/11/09
An exploration of the mechanisms for the formation of 3,4-bis(4-aminofurazan-3-yl)-furoxan by density functional theory 期刊论文
computational and theoretical chemistry, 2012, 卷号: 997, 页码: 88-93
作者:  Yang, Kun;  Chen, Xiao-Fang;  Lai, Wei-Peng;  Wang, Bo-Zhou
收藏  |  浏览/下载：15/0  |  提交时间：2013/10/11
Exact Quantum-Scattering Study of the D(S-2)+DS((II)-I-2) Reaction 期刊论文
chinese physics letters, 2012, 卷号: 29, 期号: 7
作者:  Lv Shuang-Jiang;  Zhang Pei-Yu;  He Guo-Zhong
收藏  |  浏览/下载：12/0  |  提交时间：2015/11/12
Recent Developments in Radiationless Transitions 期刊论文
PROGRESS IN CHEMISTRY, 2012, 卷号: 24, 期号: 6, 页码: 928-949
作者:  Niu Yingli;  Lin Chinkai;  Yang Ling;  Yu Jianguo;  He Rongxing
收藏  |  浏览/下载：26/0  |  提交时间：2019/04/09
Recent Developments in Radiationless Transitions 期刊论文
PROGRESS IN CHEMISTRY, 2012, 卷号: 24, 页码: 928-949
作者:  Niu Yingli;  Lin Chinkai;  Yang Ling;  Yu Jianguo;  He Rongxing
收藏  |  浏览/下载：26/0  |  提交时间：2018/07/05
Influence of Acid Strength and Confinement Effect on the Ethylene Dimerization Reaction over Solid Acid Catalysts: A Theoretical Calculation Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 卷号: 116, 期号: 23, 页码: 12687-12695
作者:  Chu, Yueying;  Han, Bing;  Zheng, Anmin;  Deng, Feng
收藏  |  浏览/下载：14/0  |  提交时间：2015/06/25

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