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- Title
The "|Δμ| big is good" rule, the maximum hardness, and minimum electrophilicity principles.
- Authors
Miranda-Quintana, Ramón Alain; Ayers, Paul W.
- Abstract
We show the relation between the "|Δμ| big is good" rule and the maximum hardness and the minimum electrophilicity principles. We focus on a double-exchange acid-base (e.g., charge transfer) reaction. We then prove that the species favored by the "|Δμ| big is good" rule are those such that the multiplication of their hardnesses is the biggest, while the validity of the minimum electrophilicity principle requires other conditions.
- Subjects
HARDNESS; MAXIMA &; minima; CHARGE transfer; PONTRYAGIN'S minimum principle
- Publication
Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, Vol 138, Issue 3, p1
- ISSN
1432-881X
- Publication type
Article
- DOI
10.1007/s00214-019-2435-0