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Note: Maximum hardness and minimum...
Journal article

Note: Maximum hardness and minimum electrophilicity principles

Abstract

We provide new arguments supporting the validity of the maximum hardness and the minimum electrophilicity principles, considering the overall change of these descriptors in a charge-transfer reaction. We analyze two cases: (a) how the reactivity is affected when we perturb one reagent, keeping the other constant; (b) how the hardness and electrophilicity change when we treat the interaction between the reagents as a perturbation.

Authors

Miranda-Quintana RA; Ayers PW

Journal

The Journal of Chemical Physics, Vol. 148, No. 19,

Publisher

AIP Publishing

Publication Date

May 21, 2018

DOI

10.1063/1.5033964

ISSN

0021-9606

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