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  5. Elucidation of the Reaction Mechanism of Nonheme Iron Enzymes by a Combined Theoretical and Experime

Elucidation of the Reaction Mechanism of Nonheme Iron Enzymes by a Combined Theoretical and Experime

来源 :International Conference on Theoretical and High Performance | 被引量 : 0次 | 上传用户：hainian3166
【摘 要】
：
　　Due to the fact that electronic structure and reactivity are intimately linked, in order to thoroughly appreciate the reactivity of a given system, one has
【作 者】
：
Shengfa Ye 
【机 构】
：
Max-PlanckInstituteforChemicalEnergyConversion,Stiftsr.34-36D-45470MülheimanderRuhr,Germany
【出 处】
：
International Conference on Theoretical and High Performance
【发表日期】
：
2013年7期
【关键词】
：
Reaction mechanism O2 activation C-H bond activation 
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　　Due to the fact that electronic structure and reactivity are intimately linked, in order to thoroughly appreciate the reactivity of a given system, one has to correctly assign its electronic structure.First, the theoretical methodology about how to analyze the electronic structure of transition metal complexes is presented.1 Then the catalytic mechanism of extradio catecholate dioxygenases2 and Fe(Ⅱ)/α-ketogluatarate-dependent dioxygenases3-6 are discussed.
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