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Theoretical study of iron acyl complexes modeling the active site of [Fe]-hydrogenase: Solvation effects play a significant role 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2015, 卷号: 1064, 页码: 45-50
Authors:  Li, Chaozheng;  Fu, Zhiqiang;  Zhang, Xiaoqian;  Liu, Yufang;  Wang, Yong
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Density Functional Theoretical Calculation  Solvation Effects  Iron  Transition State  Exothermic Process  
The influence of the adjacent hydrogen bond on the hydroxylation processes mediated by cytochrome P450 side—chain cleavage enzyme 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2015, 卷号: 133, 期号: 1, 页码: 1485
Authors:  张笑乾;  yufangliu;  王永
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The influence of the adjacent hydrogen bond on the hydroxylation processes mediated by cytochrome P450 side-chain cleavage enzyme 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2014, 卷号: 133, 期号: 6
Authors:  Zhang, Xiaoqian;  Liu, Yufang;  Wang, Yong
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Cytochrome P450 Enzyme  Hydroxylation  Density Functional Theoretical Calculation  Hydrogen Bond  Kinetic Isotope Effect