Proton transfer reactions in solution

We consider models for proton transfer reactions in solution. We present th e derivation of the different models and illustrate the problems involved w ith the different approaches. When determining the rate constants, we utili ze the solvent response method using either Hartree-Fock or multiconfigurat ional self-consistent field (SCF) reference wave functions for calculating the energies of the states, the couplings between the electronic and nuclea r subsystems, and the effects of the outer solvent. (C) 2000 John Wiley & S ons, Inc.