Abstract:
The review is devoted to theoretical studies of the dynamics of chemical reactions in condensed phases. The fundamental differences in the description of the kinetics of gas-phase and liquid-phase reactions are demonstrated. The ptincipal approaches, developed in the theory of liquid-phase reactions, are axamined in detail: numerical modelling by Monte Carlo and molecular dynamics methods; numerical and analytical study of stochastic Langevin equations, the Fokker–Planck equation, and the kinetic Bohm–Gross equation. The possibilities and limitations of the modern theory are emonstrated in relation to examples of calculations of rate constants for specific isomerisation, substitution, addition, and electron transfer reactions. The bibliography includes 114 references.