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Water assisted reaction mechanism of OH- with CCl4 in aqueous solution-Hybrid quantum mechanical and molecular mechanics investigation 期刊论文
2013, 卷号: 559, 页码: 30-34
作者:  Chen, Jie[1];  Yin, Hongyun[1];  Wang, Dunyou[1];  Valiev, Marat[2]
收藏  |  浏览/下载:3/0  |  提交时间:2020/01/07
Water assisted reaction mechanism of OH- with CCl4 in aqueous solution - Hybrid quantum mechanical and molecular mechanics investigationSCI被引量:SCI原文链接 期刊论文
2013, 卷号: 559, 页码: 30-34
作者:  Chen, Jie[1];  Yin, Hongyun[1];  Wang, Dunyou[1];  Valiev, Marat[2]
收藏  |  浏览/下载:1/0  |  提交时间:2019/12/28
Hybrid quantum mechanical and molecular mechanics study of the S N2 reaction of CCl4 + OH- in aqueous solution: The potential of mean force, reaction energetics, and rate constants 期刊论文
2012, 卷号: 116, 期号: 9, 页码: 2371-2376
作者:  Wang, Tingting[2];  Yin, Hongyun[2];  Wang, Dunyou[1];  Valiev, Marat[2]
收藏  |  浏览/下载:6/0  |  提交时间:2020/01/04
Hybrid Quantum Mechanical and Molecular Mechanics Study of the S(N)2 Reaction of CCl4 + OH- in Aqueous Solution: The Potential of Mean Force, Reaction Energetics, and Rate ConstantsSCI被引量:SCI原文链接 期刊论文
2012, 卷号: 116, 期号: 9, 页码: 2371-2376
作者:  Wang, Tingting;  Yin, Hongyun;  Wang, Dunyou[1];  Valiev, Marat[2]
收藏  |  浏览/下载:1/0  |  提交时间:2019/12/28
CH2Cl2 + OH- reaction in aqueous solution: A combined quantum mechanical and molecular mechanics study 期刊论文
2011, 卷号: 115, 期号: 8, 页码: 1380-1384
作者:  Wang, Dunyou[1];  Valiev, Marat[2];  Garrett, Bruce C.[2]
收藏  |  浏览/下载:3/0  |  提交时间:2020/01/04
CH2Cl2+OH- Reaction in Aqueous Solution: A Combined Quantum Mechanical and Molecular Mechanics StudySCI被引量:SCI原文链接 期刊论文
2011, 卷号: 115, 期号: 8, 页码: 1380-1384
作者:  Wang, Dunyou[3];  Valiev, Marat[1,2];  Garrett, Bruce C.[1,2]
收藏  |  浏览/下载:1/0  |  提交时间:2019/12/28
Hybrid Quantum Mechanical/Molecular Mechanics Study of the S(N)2 Reaction of CH3Cl+OH- in WaterSCI被引量:SCI原文链接 期刊论文
2011, 卷号: 115, 期号: 43, 页码: 12047-12052
作者:  Yin, Hongyun;  Wang, Dunyou[1];  Valiev, Marat[2]
收藏  |  浏览/下载:1/0  |  提交时间:2019/12/28


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