Issue 0, 1971

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.

Article information

Article type
Paper

J. Chem. Soc. A, 1971, 25-29

Ground states of σ-bonded molecules. Part XII. MINDO/1 studies of inversion barriers, rotational barriers, tautomerism, and hydrogen bonding

M. J. S. Dewar and M. Shanshal, J. Chem. Soc. A, 1971, 25 DOI: 10.1039/J19710000025

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