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Theoretical Methods in Condensed Phase Chemistry

  • Steven D. Schwartz

Part of the Progress in Theoretical Chemistry and Physics book series (PTCP, volume 5)

Table of contents

  1. Front Matter
    Pages i-xi
  2. Gregory A. Voth
    Pages 47-65
  3. Dimitri Antoniou, Steven D. Schwartz
    Pages 69-90
  4. Rigoberto Hernandez, Frank L. Somer Jr.
    Pages 91-116
  5. Yan Alexander Wang, Emily A. Carter
    Pages 117-184
  6. Graeme Henkelman, Gísli Jóhannesson, Hannes Jónsson
    Pages 269-302
  7. Back Matter
    Pages 303-305

About this book

Introduction

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 theor- ical papers devoted to 3-body gas phase chemical reaction dynamics. The recent history of theoretical chemistry has seen an explosion of progress in the devel- ment 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, semicl- sical studies for non-adiabatic chemical reactions in condensed phase, mixed quantum classical studies of biological systems, to fully quantum studies of m- els 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 - versity of the work always seems to frustrate entirely consistent grouping.

Keywords

chemical reaction chemistry theoretical chemistry

Editors and affiliations

  • Steven D. Schwartz
    • 1
  1. 1.Albert Einstein College of MedicineNew York CityUSA

Bibliographic information

  • DOI https://doi.org/10.1007/0-306-46949-9
  • Copyright Information Kluwer Academic Publishers 2002
  • Publisher Name Springer, Dordrecht
  • eBook Packages Springer Book Archive
  • Print ISBN 978-0-7923-6687-4
  • Online ISBN 978-0-306-46949-7
  • Series Print ISSN 1567-7354
  • Buy this book on publisher's site