A simple electrostatic model of solvation for large molecules within the SCF MO theory

A very simple electrostatic model of solvation in which the solvent molecules are represented by point dipoles has been applied to simulate the hydration effect on molecular systems within the CNDO/2 method. The limitations of the model compared to the previous approaches as well as its feasible application to the study of tautomeric equilibria of cytosine and adenine in aqueous solution are discussed.