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Theories of Molecular Reaction Dynamics - The Microscopic Foundation of Chemical Kinetics | Oxford Scholarship Online
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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 of ... More

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

Bibliographic Information

Print publication date: 2018 Print ISBN-13: 9780198805014
Published to Oxford Scholarship Online: November 2018 DOI:10.1093/oso/9780198805014.001.0001

Authors

Affiliations are at time of print publication.

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

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