ELECTRONEGATIVITY - CHEMICAL HARDNESS .2.

Authors
REED JL
Citation
Jl. Reed, ELECTRONEGATIVITY - CHEMICAL HARDNESS .2., The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(40), 1997, pp. 7401-7407
Citations number
23
Categorie Soggetti
Chemistry Physical
Journal title
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory → ACNP
ISSN journal
10895639
Volume
101
Issue
40
Year of publication
1997
Pages
7401 - 7407
Database
ISI
SICI code
1089-5639(1997)101:40<7401:E-CH.>2.0.ZU;2-J
Abstract
The identification of the absolute hardness of density functional theo ry with chemical hardness has proven to be problematic. A rather detai led examination of absolute hardness has revealed that it is in confli ct with the commonly accepted interpretation of chemical hardness. To examine chemical hardness in detail, an operational definition has bee n proposed that gives rise to an interpretation of chemical hardness, which is consistent with that of absolute hardness.