Molecular theory of solvation: Methodology summary and illustrations

Integral equation theory of molecular liquids based on statistical mechanics is quite promising as an essential part of multiscale methodology for chemical and biomolecular nanosystems in solution. Beginning with a molecular interaction potential force field, it uses diagrammatic analysis of the sol...

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Bibliographic Details

Published in:	Condensed Matter Physics
Main Author:	A. Kovalenko
Format:	Article
Language:	English
Published:	Yukhnovskii Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine 2015-09-01
Subjects:	solution chemistry biomolecular solvation integral equation theory of liquids 3D-RISM-KH molecular theory of solvation solvation structure and thermodynamics potential of mean force
Online Access:	http://dx.doi.org/10.5488/CMP.18.32601