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

Print publication date: 2008 | Print ISBN-13: 9780199203864 |

Published to Oxford Scholarship Online: January 2010 | DOI:10.1093/acprof:oso/9780199203864.001.0001 |

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## Front Matter

## Part I Gas-phase dynamics

## Part II Condensed-phase dynamics

## End Matter

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A Statistical mechanics

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B Microscopic reversibility and detailed balance

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C Cross-sections in various frames

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D Classical mechanics, coordinate transformations

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E Small-amplitude vibrations, normal-mode coordinates

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F Quantum mechanics

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G An integral

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H Dynamics of random processes

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I Multidimensional integrals, Monte Carlo method

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Index