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