Methods in Reaction Dynamics

Methods in Reaction Dynamics is a collection of lectures given at the 1999 Mariapfarr Workshop in Theoretical Chemistry. Arranged as a series of detailed reviews, it provides an overview of quantum mechanical techniques used to describe and simulate the dynamics and kinetics of elementary chemical reactions. The volume provides in-depth discussions of selected topics in Theoretical Chemistry, such as quantum methods in theoretical and computational reaction dynamics and kinetics; time-dependent, time-independent and mixed quantum-classical techniques. Some of the topics have not been reviewed before in detail.

In-depth reviews on computational methods in reaction dynamics Some topics have never been reviewed in detail before Includes supplementary material: sn.pub/extras

Contenu
Time Dependent Quantum Theory of Reactive Molecular Collisions.- Quantum Reactive Scattering: The Time - Independent Approach. I. Principles and Early Developments.- Quantum Reactive Scattering: The Time Independent Approach. II. Current Methods and Developments.- The Reaction Path Method for Chemical Reactions.- Reaction rates.