Artículo de revista
An information-theoretic resolution of the ambiguity in the local hardness
Physical Chemistry Chemical Physics, 16 (13): 6019-6026, 2014
Heidar Zadeh, Farnaz
Fuentealba Rosas, Patricio
Cardenas Valencia, Carlos
Ayers, Paul W.
The ambiguity of the local hardness is resolved by using information theory to select definitions of the local hardness that are as close as possible to a well-defined approximate formula for the local hardness. A condensed local hardness is derived by using the atomic hardnesses as a reference distribution; a pointwise local hardness is derived by using the uniform electron gas as a reference distribution. This information-theoretic condensed local hardness is tested by examining electrophilic attack on some substituted pyridines