Book Name: [PDF] Theoretical Methods in Condensed Phase Chemistry, Volume 5 by Steven D. Schwartz
Category: Physical Chemistry
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Theoretical Methods in Condensed Phase Chemistry, Volume 5 by Steven D. Schwartz :: Review: This book is meant to provide a window on the rapidly growing body of theoretical studies of condensed phase chemistry. A brief perusal of physical chemistry journals in the early to mid 1980’s will find a large number of theoretical papers devoted to 3-body gas phase chemical reaction dynamics. The recent history of theoretical chemistry has seen an explosion of progress in the development of methods to study similar properties of systems with Avogadro’s number of particles. While the physical properties of condensed phase systems have long been principle targets of statistical mechanics, microscopic dynamic theories that start from detailed interaction potentials and build to first principles predictions of properties are now maturing at an extraordinary rate. The techniques in use range from classical studies of new Generalized Langevin Equations, semiclassical studies for non-adiabatic chemical reactions in condensed phase, mixed quantum classical studies of biological systems, to fully quantum studies of models of condensed phase environments. These techniques have become sufficiently sophisticated, that theoretical prediction of behavior in actual condensed phase environments is now possible. and in some cases, theory is driving development in experiment.
The authors and chapters in this book have been chosen to represent a wide
variety in the current approaches to the theoretical chemistry of condensed phase systems. I have attempted a number of groupings of the chapters, but the diversity of the work always seems to frustrate entirely consistent grouping. The final choice begins the book with the more methodological chapters, and proceeds to greater emphasis on application to actual chemical systems as the book progresses. Almost all the chapters, however, make reference to both basic theoretical developments, and to application to real life systems. It has been exactly this close interaction between methodology development and application which has characterized progress in this field and made its evolution so exciting.
Title: Theoretical Methods in Condensed Phase Chemistry
Editor: Steven D. Schwartz
Volume: 5th
Publisher: Springer Publications
Length: 318 pages
Size: 3.40 MB
Language: English

Theoretical Methods in Condensed Phase Chemistry

Author(s): Eli Pollak (auth.), Steven D. Schwartz (eds.)

Series: Progress in Theoretical Chemistry and Physics 5

Publisher: Springer Netherlands, Year: 2002

ISBN: 9780306469497


[PDF] Theoretical Methods in Condensed Phase Chemistry, Volume 5 by Steven D. Schwartz Table Of Contents

Classical and Quantum Rate Theory for Condensed Phases….Pages 1-46
Feynman Path Centroid Dynamics….Pages 47-65
Proton Transfer in Condensed Phases: Beyond the Quantum Kramers Paradigm….Pages 69-90
Nonstationary Stochastic Dynamics and Applications to Chemical Physics….Pages 91-116
Orbital-Free Kinetic-Energy Density Functional Theory….Pages 117-184
Semiclassical Surface Hopping Methods for Nonadiabatic Transitions in Condensed Phases….Pages 185-206
Mechanistic Studies of Solvation Dynamics in Liquids….Pages 207-233
Theoretical Chemistry for Heterogeneous Reactions of Atmospheric Importance. The HC1+CIONO 2 Reaction on Ice….Pages 235-245
Simulation of Chemical Reactions in Solution Using an AB Initio Molecular Orbital-Valence Bond Model….Pages 247-268
Methods for Finding Saddle Points and Minimum Energy Paths….Pages 269-302




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