Over a period of fifty years, the quantum-classical or semi-classical theories have been among the most popular for calculations of rates and cross sections for many dynamical processes: energy transfer, chemical reactions, photodissociation, surface dynamics, reactions in clusters and solutions, etc. These processes are important in the simulation of kinetics of processes in plasma chemistry, chemical reactors, chemical or gas lasers, atmospheric and interstellar chemistry, as well as various industrial processes. This book gives an overview of quantum-classical methods that are currently...

This work explores both molecular reaction dynamics and chemical kinetics, and their respective theories. The topics discussed include interaction potentials; relative motion and the collisional approach for chemical reaction in the gas phase; partition functions; transition state theory; unimolecular reactions; molecular reactions calculations; non-adiabatic transitions; surface kinetics; chemical reactions in solution; energetic changes in solvating a molecule; transition state theory in solution; models for diffusion; Kramer's theory of viscosity of solvent in chemical reactions; and...

This monograph is a second volume to an introductory text concerning molecular reaction dynamics, the use of mathematical model systems based on statistical assumptions to calculate the probability of a chemical reaction and chemical kinetics. It combines the theories of chemical kinetics and molecular reaction dynamics into a single location and includes coverage of Wavepacket propagation, potential energy surfaces, non-equilibrium solvation, photodissociation and more.

This text is now available as a two-volume set. Volume 1 covers both molecular reaction dynamics and chemical kinetics, and their respective theories in a single source. It also includes problems and solved exercises.