Ground states of σ-bonded molecules. Part XII. MINDO/1 studies of inversion barriers, rotational barriers, tautomerism, and hydrogen bonding
Abstract
The MINDO/1 method has been used to study barriers to inversion of trivalent nitrogen, keto–enol tautomerism, and chelation by hydrogen bonding in enols from β-dicarbonyl compounds. The results seem to agree quite well with experiment.