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An angle dependent site-renormalized theory for the conformations of n-butane in a simple fluid

The angular dependent site-renormalized integral equation theory is developed to compute the dihedral conformation distribution and intermolecular pair distributions of n-butane at infinite dilution in a Lennard-Jones solvent. The equations take advantage of the topological diagrammatic expansion...

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Bibliographic Details
Main Authors: Dyer, K., Perkyns, J., Pettitt, B., Stell, G.
Format: Article
Language:English
Published: Інститут фізики конденсованих систем НАН України 2007
Series:Condensed Matter Physics
Online Access:http://dspace.nbuv.gov.ua/handle/123456789/118697
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