Theories of Molecular Reaction Dynamics
The Microscopic Foundation of Chemical Kinetics
Series: Oxford Graduate Texts;
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Product details:
- Publisher OUP Oxford
- Date of Publication 26 April 2012
- ISBN 9780199652754
- Binding Paperback
- No. of pages392 pages
- Size 246x172x21 mm
- Weight 686 g
- Language English
- Illustrations 100 b/w line drawings 0
Categories
Short description:
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.
MoreLong description:
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 uni- and bi-molecular elementary reactions are described. The book features a detailed presentation of transition-state theory which plays an important role in practice, and a comprehensive discussion of basic theories of reaction dynamics in condensed phases. Examples and end-of-chapter problems are included in order to illustrate the theory and its connection to chemical problems.
A topic of fundamental importance in physical chemistry and chemical physics.
Table of Contents:
Introduction
I GAS-PHASE DYNAMICS
From microscopic to macroscopic descriptions
Potential energy surfaces
Bimolecular reactions, dynamics of collisions
Rate constants, reactive flux
Bimolecular reactions, transition-state theory
Unimolecular reactions
Microscopic interpretation of Arrhenius parameters
II CONDENSED-PHASE DYNAMICS
Introduction to condensed-phase dynamics
Static solvent effects, transition-state theory
Dynamic solvent effects, Kramers theory
III APPENDICES
Statistical Mechanics
Microscopic reversibility and detailed balance
Cross sections in various frames
Classical mechanics, coordinate transformations
Small vibrations and normal mode coordinates
An integral
Dynamics of random processes
Multidimensional integrals, Monte Carlo method
