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The Fukui Potential and the Capacity of Charge and...
Journal article

The Fukui Potential and the Capacity of Charge and the Global Hardness of Atoms

Abstract

In the course of a reaction it is the shape of the Fukui potential that guides a distant reagent toward the site where an electrophile/nucleophile is willing to accept/donate charge. In this paper we explore the mathematical characteristics of the Fukui potential and demonstrate its relationship to the hardness and the ability of an atom in a molecule to change its charge. The Fukui potential not only determines the active site for electron …

Authors

Cárdenas C; Tiznado W; Ayers PW; Fuentealba P

Journal

The Journal of Physical Chemistry A, Vol. 115, No. 11, pp. 2325–2331

Publisher

American Chemical Society (ACS)

Publication Date

March 24, 2011

DOI

10.1021/jp109955q

ISSN

1089-5639