Importance of Nonchemical Steps in CatalysisInsight from QM and QMMM Simulations

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：kiujiabing

【摘要】

：

　　Both enzymatic and non-enzymatic catalyses generally comprise many nonchemical steps,such as the formation of reactive configuration and the activation of p

【作者】

：

Zexing Cao

【机构】

：

FujianProvincialKeyLaboratoryofTheoreticalandComputationalChemistry,CollegeofChemistryandChemicalEng

【出处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年6期

【关键词】

：

Non-enzymatic and enzymatic catalyses Substrate delivery Relative free energies

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　　Both enzymatic and non-enzymatic catalyses generally comprise many nonchemical steps,such as the formation of reactive configuration and the activation of precursor in the catalytic reaction.

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Importance of Nonchemical Steps in CatalysisInsight from QM and QMMM Simulations

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