Cumulative and discrete similarity analysis of electrostatic potentials and fields

A new index suitable for computing molecular similarity based upon the similarity of molecular properties such as electrostatic potentials or electrostatic fields is presented in two forms. For one form of the present index, general conditions are established for which a linear measure of similarity...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of computational chemistry 1993-08, Vol.14 (8), p.928-933
1. Verfasser:	Petke, J.D.
Format:	Artikel
Sprache:	eng
Schlagworte:	Ab initio calculations Atomic and molecular physics Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Physics
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!