Theories of Molecular Reaction Dynamics

• Unique, graduate level introduction with attention to basic concepts and clarity of presentation
• Systematic and comprehensive presentation of the subject
• Comprehensive discussion of basic theories of reaction dynamics in gas phase and of theories of condensed-phase dynamics
• Detailed presentation of transition-state theory
• Wide range of examples and end-of-chapter problems
• Solutions manual available for lecturers

Readership: Advanced undergraduates and graduate students in theoretical chemistry, molecular physics, physical chemistry, materials science, and chemical physics.

Niels E. Henriksen, Department of Chemistry, Technical University of Denmark, Lyngby, and Flemming Y. Hansen, Department of Chemistry, Technical University of Denmark, Lyngby

"This book is a comprehensive monograph on all the aspects of the molecular reaction dynamics and is useful for all the specialists in physico-chemical and chemical fields." - Corina Cernatescu, IASI Polytechnic Magazine

1: Introduction
I GAS-PHASE DYNAMICS
2: From microscopic to macroscopic descriptions
3: Potential energy surfaces
4: Bimolecular reactions, dynamics of collisions
5: Rate constants, reactive flux
6: Bimolecular reactions, transition-state theory
7: Unimolecular reactions
8: Microscopic interpretation of Arrhenius parameters
II CONDENSED-PHASE DYNAMICS
9: Introduction to condensed-phase dynamics
10: Static solvent effects, transition-state theory
11: Dynamic solvent effects, Kramers theory
III APPENDICES
A: Statistical Mechanics
B: Microscopic reversibility and detailed balance
C: Cross sections in various frames
D: Classical mechanics, coordinate transformations
E: Small vibrations and normal mode coordinates
F: An integral
G: Dynamics of random processes
H: Multidimensional integrals, Monte Carlo method

SOLUTIONS MANUAL available for instructors