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Tunneling Effect That Changes the Reaction Pathway from Epoxidation to Hydroxylation in the Oxidation of Cyclohexene by a Compound I Model of Cytochrome P450 期刊论文
Journal of Physical Chemistry Letters, 2017, 卷号: 8, 期号: 7, 页码: 1557-1561
Authors:  Ranjana Gupta;  Li, Xiao-Xi;  Kyung-Bin Cho;  Guo, Mian;  Lee, Yong-Min;  Wang Y(王永);  Shunichi Fukuzumi;  Wonwoo Nam;  Wang Y(王永)
Adobe PDF(925Kb)  |  Favorite  |  View/Download：113/3  |  Submit date：2017/05/22
DFT studies of the substituent effects of dimethylamino on non-heme active oxidizing species: iron(V)-oxo species or iron(IV)-oxo acetate aminopyridine cation radical species? 期刊论文
Journal of Biological Inorganic Chemistry, 2017, 卷号: 22, 期号: 7, 页码: 987-998
Authors:  Wang F(王芳);  Sun W(孙伟);  Xia CG(夏春谷);  Wang Y(王永);  Wang Y(王永)
Adobe PDF(1516Kb)  |  Favorite  |  View/Download：102/1  |  Submit date：2017/11/24
Non-heme Iron  Epoxidation  Density Functional Theory  Substituent Effect  Cation Radical Species  
Manganese complex-catalyzed oxidation and oxidative kinetic resolution of secondary alcohols by hydrogen peroxide 期刊论文
Chemical Science, 2017, 卷号: 8, 期号: 11, 页码: 7476-7482
Authors:  Miao CX(苗成霞);  Li, Xiao-Xi;  Yong-Min Lee;  Xia CG(夏春谷);  Wang Y(王永);  Wonwoo Nam;  Sun W(孙伟);  Sun W(孙伟)
Adobe PDF(587Kb)  |  Favorite  |  View/Download：175/6  |  Submit date：2017/11/24
Mutable Properties of Nonheme Iron(III)-Iodosylarene Complexes Result in the Elusive Multiple-Oxidant Mechanism 期刊论文
Journal of the American Chemical Society, 2017, 卷号: 139, 期号: 22, 页码: 7444-7447
Authors:  Kang, Yiran;  Li, Xiao-Xi;  Kyung-Bin Cho;  Sun W(孙伟);  Xia CG(夏春谷);  Wonwoo Nam;  Wang Y(王永);  Wang Y(王永)
Adobe PDF(1406Kb)  |  Favorite  |  View/Download：161/4  |  Submit date：2017/07/17
Reactivity Patterns of (Protonated) CompoundII and CompoundI of Cytochrome P450: Which is the Better Oxidant? 期刊论文
Chemistry - A European Journal, 2017, 卷号: 23, 期号: 26, 页码: 6406-6418
Authors:  Li, Xiao-Xi;  Verknica Postils;  Sun, Wei;  AbayomiS.Faponle;  Miquel Sola;  Wang Y(王永);  Wonwoo Nam;  Sam P. de Visser;  Wang Y(王永)
Adobe PDF(1910Kb)  |  Favorite  |  View/Download：72/0  |  Submit date：2017/07/10
Cytochrome P450  Density Functional Calculations  Electronic Structure  Hydroxylation  Oxidation