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