Schwartz S.D. (Ed.). Theoretical Methods in Condensed Phase Chemistry

Kluwer Academic Publishers, 2002. - 318 p. - This book presents some of the most recent advances in the theory of chemical processes in the condensed phase. The approaches and applications studied in the book vary widely from classical mechanics to quantum mechanics, encompassing a range of systems from atom transfer reactions in simple fluids to charge transfer in water to biological systems. Each chapter presents an overview of a state-of-the-art technique by investigators who have been at the forefront of developing the approaches. The theoretical study of condensed phase chemistry is one of the most exciting and rapidly expanding fields of chemical physics, and this volume provides a snapshot of the forefront of research in this area.Classical and quantum rate theory for condensed phases
Feynman path centroid dynamics
Proton transfer in condensed phases: beyond the quantum Kramers paradigm
Nonstationary shastic dynamics and applications to chemical physics
Orbital-free kinetic-energy density functional theory
Semiclassical surface hopping methods for nonadiabatic transitions in condensed phases
Mechanistic studies of solvation dynamics in liquids
Theoretical chemistry of heterogeneous reactions of atmospheric importance: the HCl⁺ ClONO₂ reaction on ice
Simulation of chemical reactions in solution using an ab initio molecular orbital-valence bond model
Methods for finding saddle points and minimum energy paths
Appendix The two-dimensional test problem.