Journal of Chemical Physics, Vol.102, No.20, 7864-7884, 1995
Vb Resonance Theory in Solution .1. Multistate Formulation
Keywords:CONTINUUM SOLVENT INTERACTIONS;QUANTUM-CHEMICAL CALCULATIONS;EMPIRICAL POTENTIAL SURFACES;MOLECULAR-ORBITAL FORMALISM;ELECTRON-TRANSFER REACTIONS;TRANSITION-STATE STRUCTURE;ARBITRARILY SHAPED CAVITY;S(N)1 IONIC DISSOCIATION;VALENCE-BOND APPROACH;MODEL SN2 REACTION