Synopses & Reviews
This book presents an up-to-date view of theories, practical methods and applications of solvent effects and chemical reactivity in condensed phases. Subjects treated include continuum solvation models, the theoretical basis for the treatment of solvent effects in density functional theory, Monte Carlo simulations of chemical reactions in solution, DFT molecular dynamics simulations, crossing the transition state in solution, valence bond multi-state approach to chemical reactions in solution, quantum theory of solvent effects and chemical reactions. The approaches taken as well as the resulting findings are discussed in detail, thus covering a large part of the methodology currently used in this field. Audience: This volume will be useful to graduate students in chemistry, physical chemistry and biochemistry, to research workers with a background in quantum chemistry and quantum mechanics, to pure and applied quantum chemists, and to industrial molecular modellers.
Book News Annotation:
Seven papers presenting theories, practical methods, and applications
of solvent effects and chemical reactivity in condensed phases. The
authors review findings and methodology used in the field, discussing
topics in continuum solvation models, the theoretical basis for the
treatment of solvent effects in density functional theory, Monte
Carlo simulations of chemical reactions in solution, DFT molecular
dynamics simulations, crossing the transition state in solution, the
valence bond multi-state approach to chemical reactions in solution,
and the quantum theory of solvent effects and chemical reactions.
Includes tables, charts, graphs, and equations.
Annotation c. Book News, Inc., Portland, OR (booknews.com)
Synopsis:
This work presents an up-to-date view of theories, practical methods and applications of solvent effects and chemical reactivity in condensed phases. Subjects treated include continuum solvation models and the theoretical basis for the treatment of solvent effects in density functional theory.
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