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Reactivity and Charge Transfer Beyond the...
Journal article

Reactivity and Charge Transfer Beyond the Parabolic Model: the “|Δμ| Big is Good” Principle

Abstract

Abstract We discuss an extension of the venerable Parr‐Pearson parabolic charge transfer model that explicitly includes 3 rd order effects. We then use this new model to provide new arguments supporting the validity of Parr and Yang's “|Δμ| big is good” (DMB) principle. Additionally, we show how to re‐derive this principle from the Parr‐Pearson parabolic model, using simpler arguments than those presented in our previous proof of the DMB rule.

Authors

Miranda‐Quintana RA; Ayers PW; Heidar‐Zadeh F

Journal

ChemistrySelect, Vol. 6, No. 1, pp. 96–100

Publisher

Wiley

Publication Date

January 8, 2021

DOI

10.1002/slct.202004055

ISSN

2365-6549

Labels

Fields of Research (FoR)

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