Chemical reactions in condensed phases

Abstract

Abstract The application of classical and quantum relaxation theory to the kinetics of chemical reactions in condensed phases is discussed in this chapter. (1) Unimolecular reactions. (2) Transition state theory (TST) (the underlying assumptions of transition state theory, transition state rate of escape from a one dimensional well, TST in a multidimensional system, TST for non-adiabatic transitions, TST with tunneling). (3) Dynamical effects in barrier crossing—the Kramers model (Escape from a one-dimensional well, the overdamped case, moderate-to-large damping, the low damping limit, implications and shortcomings of the Kramers theory, non-Markovian effects, the normal mode description of barrier crossing). (4) Some experimental observations. (5) Numerical simulation of barrier crossing. (6) Diffusion-controlled reactions.