Note: Maximum hardness and minimum electrophilicity principles.
Ramón Alain Miranda-QuintanaPaul W AyersPublished in: The Journal of chemical physics (2018)
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.
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