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Trends in Chemical Physics   Volumes    Volume 7 
Abstract
Representation of condensed phase properties in terms of molecular surface electrostatic potentials
Jane S. Murray, Peter Politzer
Pages: 157 - 168
Number of pages: 12
Trends in Chemical Physics
Volume 7 

Copyright © 1999 Research Trends. All rights reserved

ABSTRACT
 
A conceptual general interactive properties function is introduced, as the basis for developing analytical representations of condensed phase macroscopic properties that depend upon noncovalent molecular interactions. These are expressed in terms of some subset of a small group of statistically-defined quantities that characterize the electrostatic potential on a molecular surface defined as an outer contour of the electronic density. Examples of a number of applications are presented and discussed.
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