Issue 12, 1990

Concerted synchronous two-hydron transfer within the formic acid dimer. A kinetic isotope effect study using ab initio calculations

Abstract

Calculated isotope effects on the two-hydron transfer within the formic acid dimer calculated at different levels of theory including perturbational electron correlation correction (MP2) together with normal mode analysis form a basis for the interpretation of isotope effects in two-hydron transfer reactions.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1990, 862-863

Concerted synchronous two-hydron transfer within the formic acid dimer. A kinetic isotope effect study using ab initio calculations

P. Svensson, N. Bergman and P. Ahlberg, J. Chem. Soc., Chem. Commun., 1990, 862 DOI: 10.1039/C39900000862

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