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Using reactivity indicators instead of the...
Journal article

Using reactivity indicators instead of the electron density to describe Coulomb systems

Abstract

It is shown that the Fukui function, local softness, softness kernel, and the electrostatic potential are all capable of fully describing every property of a Coulomb system. This gives a new and fundamental insight into these reactivity indicators, and extends recent work on the shape function and the local temperature.

Authors

Ayers PW

Journal

Chemical Physics Letters, Vol. 438, No. 1-3, pp. 148–152

Publisher

Elsevier

Publication Date

April 2007

DOI

10.1016/j.cplett.2007.02.070

ISSN

0009-2614