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Structure and reactivity of the first-row d-block metal-superoxo complexes 期刊论文
Dalton Transactions, 2019, 卷号: 48, 期号: 26, 页码: 9469
Authors:  Shunichi Fukuzumi;  Yong-Min Lee;  Wonwoo Nam
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Heme and Nonheme High-Valent Iron and Manganese Oxo Cores in Biological and Abiological Oxidation Reactions 期刊论文
ACS Central Science, 2018, 卷号: 5, 期号: 1, 页码: 13
Authors:  Mian Guo;  Teresa Corona;  Kallol Ray;  Wonwoo Nam
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Mechanistic Insights into the Enantioselective Epoxidation of Olefins by Bioinspired Manganese Complexes: Role of Carboxylic Acid and Nature of Active Oxidant 期刊论文
ACS Catalysis, 2018, 卷号: 8, 期号: 5, 页码: 4528–4538
Authors:  Du Junyi;  Miao Chengxia;  Xia Chungu;  Lee Yong-Min;  Nam Wonwoo;  Sun Wei
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Highly Enantioselective Oxidation of Spirocyclic Hydrocarbons by Bioinspired Manganese Catalysts and Hydrogen Peroxide 期刊论文
ACS Catalysis, 2018, 卷号: 8, 期号: 3, 页码: 2479-2487
Authors:  Qiu Bin;  Xu Daqian;  Sun Qiangsheng;  Miao Chengxia;  Lee Yong-Ming;  Li Xiao-Xi;  Nam Wonwoo;  Sun Wei
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单核铁-氧和锰-氧加合物研究进展 期刊论文
ACTA CHIMICA SINICA, 2018, 卷号: 76, 期号: 5, 页码: 329—346
Authors:  杜俊毅;  夏春谷;  孙伟
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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)
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Non-heme Iron  Epoxidation  Density Functional Theory  Substituent Effect  Cation Radical Species  
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)
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Cytochrome P450  Density Functional Calculations  Electronic Structure  Hydroxylation  Oxidation  
How PBDEs Are Transformed into Dihydroxylated and Dioxin Metabolites Catalyzed by the Active Center of Cytochrome P450s: A DFT Study 期刊论文
Environmental Science and Technology, 2016, 卷号: 50, 期号: 15, 页码: 8155-8163
Authors:  Fu, Zhiqiang;  Wang Y(王永);  Chen, Jingwen;  Wang, Zhongyu;  Wang, Xingbao
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Detoxification of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) by cytochrome P450 enzymes: A theoretical investigation 期刊论文
Journal of Inorganic Biochemistry, 2016, 卷号: 154, 页码: 21-28
Authors:  Li, Xiao-Xi;  Wang, Yong;  Zheng, Qing-Chuan;  Zhang, Hong-Xing
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Cytochrome P450 Enzyme  Density Functional Calculations  N-demethylation  Aromatic Hydroxylation  
Estrogen Formation via H-Abstraction from the O-H Bond of gem-Diol by Compound I in the Reaction of CYP19A1: Mechanistic Scenario Derived from Multiscale QM/MM Calculations 期刊论文
ACS Catalysis, 2015, 卷号: 5, 期号: 7, 页码: 4175-4179
Authors:  Xu, Kai;  Wang, Yong;  Hirao, Hajime
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Aromatase  Cpd i  Qm/mm  H-abstraction  Pcet