24: Molecular Theory of Solvation (Understanding Chemical Reactivity)

24: Molecular Theory of Solvation (Understanding Chemical Reactivity) by F. Hirata

ISBN10: 1402015623
ISBN13: 978-1402015625
Author: F. Hirata
Title: 24: Molecular Theory of Solvation (Understanding Chemical Reactivity)
Publisher: Springer; 2003 edition (December 31, 2003)
Language: English
Size ePub: 1725 kb
Size PDF: 1747 kb
Rating: 4.8/5
Votes: 523
Pages:
Subcategory: Medicine

24: Molecular Theory of Solvation (Understanding Chemical Reactivity) by F. Hirata



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.


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