Perspectives on the Density Functional Theory of Chemical Reactivity
作者： José L. Gázquez
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摘要: A brief perspective of the development density functional theory chemical reactivity since identification potential with electronegativity in 1978 is presented. The concepts are examined together principles associated them. Then, interaction energy between a nucleophile and an electrophile analyzed order to illustrate relevance these characterize global site selectivity trends.
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