Copyright © 2001 Elsevier Science Ltd. All rights reserved.
Distributions and averages of molecular conformations
Received 1 March 2000;
revised 22 March 2000;
accepted 26 June 2000.
Available online 22 December 2000.
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Abstract
A computational technique is proposed for the study of electron density variations within a distribution of molecular conformations. These variations are defined in terms of the deviations of individual electron densities from the average density associated with the average of conformations within a conformational range of a molecule.
Author Keywords: Molecular conformations; Electron density variations; Distributions







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