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Theories of Molecular Reaction Dynamics
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Theories of Molecular Reaction Dynamics: The Microscopic Foundation of Chemical Kinetics

Niels E. Henriksen and Flemming Y. Hansen

Abstract

This book deals with a central topic at the interface of chemistry and physics — the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for predicting the outcome of chemical reactions. The style is highly systematic with attention to basic concepts and clarity of presentation. Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics or, as an approximation, classical mechanics, the dynamics ... More

Keywords: elementary reactions, quantum dynamics, potential energy surface, Boltzmann distribution, cross-sections, rate constant, transition-state theory, Kramers theory, Grote-Hynes theory

Bibliographic Information

Print publication date: 2008 Print ISBN-13: 9780199203864
Published to Oxford Scholarship Online: January 2010 DOI:10.1093/acprof:oso/9780199203864.001.0001

Authors

Affiliations are at time of print publication.

Niels E. Henriksen, author
Department of Chemistry, Technical University of Denmark, Lyngby

Flemming Y. Hansen, author
Department of Chemistry, Technical University of Denmark, Lyngby

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