Issue 8, 1986

Calculated conformational equilibrium isotope effect for [2H1]cyclohexane

Abstract

Calculations for [2H1]cyclohexane with a scaled quantum-mechanical 3-21G force field indicate a preference for equatorial deuterium in accord with experiment but contrary to expectation.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1986, 627-628

Calculated conformational equilibrium isotope effect for [2H1]cyclohexane

I. H. Williams, J. Chem. Soc., Chem. Commun., 1986, 627 DOI: 10.1039/C39860000627

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