Chemistry of the Liquid State: Current Trends in Quantum-Chemical Modeling

A review of modern trends in quantum chemical modeling of solvent influence is presented. Current versions of the most popular schemes to model solvent influence have been described, and the correspondence between them has been established. Among the reviewed methods are ab initio molecular dynamics for the liquid state, ab initio and semiempirical continuum, and supermolecular approximations. Ab initio and semi-empirical methods are compared for a selected number of examples mainly dealing with solvent influence in hydrogen bondinga acid-base reactions and related phenomena.