Issue 18, 1981

MNDO SCF-MO calculations of kinetic isotope effects for dehydrochlorination reactions of chloroalkanes

Abstract

Calculations of 1H/2H, 12C/13C, and 35Cl/37Cl kinetic isotope effects using the MNDO SCF-MO method suggest that the transition states for the gas-phase dehydrochlorination of chloroalkanes differ significantly from some previously suggested models.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1981, 939-940

MNDO SCF-MO calculations of kinetic isotope effects for dehydrochlorination reactions of chloroalkanes

H. S. Rzepa, J. Chem. Soc., Chem. Commun., 1981, 939 DOI: 10.1039/C39810000939

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