Abstract
High level ab initio molecular orbital studies, using basis sets upto 6-31+G**, with electron correlation included at the second-order MOller Plesset perturbation (MP2) and quadratic configuration interaction with singles and doubles (QCISD) levels, are reported for the tautomeric equilibria of formamide/formamidic acid and 2-pyridone/2-hydroxypyridine in the gas phase and solution. The solvent effects on the tautomeric equilibria were investigated by self-consistent reaction field (SCRF) theory
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