Structure-property relationships and momentum space quantities: Hammett σ-constants

Abstract:

Correlations are established between Hammett a constants and momentum-space expectation values (<p2>). Momentum-space quantities, which have generally been neglected by chemists, are shown to be valuable for such problems, which suggests they may be useful more widely as suitable molecular descriptors for quantitative structure-property studies.

Año de publicación:

2003

Keywords:

Fuente:

scopus