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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