Journal of Chemical Physics, Vol.102, No.14, 5708-5718, 1995
Theoretical Investigations of Proton-Transfer Reactions in a Hydrogen-Bonded Complex of Cytosine with Water
Keywords:DENSITY-FUNCTIONAL THERMOCHEMISTRY;2ND-ORDER PERTURBATION-THEORY;MOLECULAR-ORBITAL METHODS;VALENCE BASIS-SETS;TAUTOMERIC EQUILIBRIA;CONICAL INTERSECTIONS;INTERNAL-CONVERSION;ABINITIO;2-HYDROXYPYRIDINE;BENZENE