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The unconstrained local hardness: an intriguing...
Journal article

The unconstrained local hardness: an intriguing quantity, beset by problems

Abstract

Developing a mathematical approach to the local hard/soft acid/base principle requires an unambiguous definition for the local hardness. One such quantity, which has aroused significant interest in recent years, is the unconstrained local hardness. Key identities are derived for the unconstrained local hardness, δμ/δρ(r). Several identities are presented which allow one to determine the unconstrained local hardness either explicitly using the …

Authors

Cuevas-Saavedra R; Rabi N; Ayers PW

Journal

Physical Chemistry Chemical Physics, Vol. 13, No. 43, pp. 19594–19600

Publisher

Royal Society of Chemistry (RSC)

Publication Date

2011

DOI

10.1039/c1cp21646e

ISSN

1463-9076