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Table of contents (5 chapters)
Keywords
About this book
Molecular Theory of Solvation presents the recent progress in the statistical mechanics of molecular liquids applied to the most intriguing problems in chemistry today, including chemical reactions, conformational stability of biomolecules, ion hydration, and electrode-solution interface. The continuum model of "solvation" has played a dominant role in describing chemical processes in solution during the last century. This book discards and replaces it completely with molecular theory taking proper account of chemical specificity of solvent.
The main machinery employed here is the reference-interaction-site-model (RISM) theory, which is combined with other tools in theoretical chemistry and physics: the ab initio and density functional theories in quantum chemistry, the generalized Langevin theory, and the molecular simulation techniques.
This book will be of benefit to graduate students and industrial scientists who are struggling to find a better way of accounting and/or predicting "solvation" properties.
Editors and Affiliations
Bibliographic Information
Book Title: Molecular Theory of Solvation
Editors: Fumio Hirata
Series Title: Understanding Chemical Reactivity
DOI: https://doi.org/10.1007/1-4020-2590-4
Publisher: Springer Dordrecht
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eBook Packages: Springer Book Archive
Copyright Information: Springer Science+Business Media Dordrecht 2003
Hardcover ISBN: 978-1-4020-1562-5Published: 31 December 2003
Softcover ISBN: 978-90-481-6400-4Published: 05 December 2010
eBook ISBN: 978-1-4020-2590-7Published: 11 April 2006
Edition Number: 1
Number of Pages: X, 358
Number of Illustrations: 49 b/w illustrations
Topics: Electrochemistry, Condensed Matter Physics, Complex Systems, Physical Chemistry, Statistical Physics and Dynamical Systems