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5. New Mechanistic Insights on Homogeneous Catalysis Bio-Catalysis from Multi-Scale Simulations

New Mechanistic Insights on Homogeneous Catalysis Bio-Catalysis from Multi-Scale Simulations

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：ycmk07js2

【摘 要】

：

　　Computational chemistry has played an important role in elucidating mechanisms of metal-mediated organic and enzymatic reactions(including the origins of ch

【作 者】

：

钟龙华 

【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】

：

homogeneous catalysis bio-catalysis reaction mechanism multi-scale simulations 

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　　Computational chemistry has played an important role in elucidating mechanisms of metal-mediated organic and enzymatic reactions(including the origins of chemo-,regio-,and stereo-selectivities).

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