Theoretical Chemistry

Theoretical Chemistry: Theory of Scattering: Papers in Honor of Henry Eyring, Volume 6, Part A covers the aspects of reactive and nonreactive scattering. The book discusses the applications of classical trajectory to reactive scattering and the accurate quantum calculations of reactive systems. The text also describes the fluctuations in chemically reacting systems, as well as the coupling of electronically adiabatic states in atomic and molecular collisions. Chemists, physicists, people involved in the study of the theory of scattering, and students taking related courses will find the book useful.

Contenu

List of Contributors
Preface
Contents of Previous Volumes
Applications of Classical Trajectory Techniques to Reactive Scattering
I. Introduction
II. A Case Study Reopened: The F + H2 System
III. Other Systems
References
Accurate Quantum Calculations of Reactive Systems
I. Introduction
II. The Quantum Dynamics of Reactive Collinear Triatomic Reactions
III. The Quantum Dynamics of Three-Dimensional Reactive Triatomic Systems
IV. General Systems and Processes
V. Conclusion
References
Fluctuations in Chemically Reacting Systems
I. Introduction
II. Nonequilibrium Fluctuations
References
The Coupling of Electronically Adiabatic States in Atomic and Molecular Collisions
I. Introduction
II. The Scattering Problem in a Born-Oppenheimer Electronically Adiabatic Basis
III. Transformation to Diabatic Representations
IV. Solution of the Coupled Channel Equations by /?-Matrix Propagation
V. Summary
References
Index