Issue 1, 1990

Stepwise two-proton transfer within the formamidine dimer. A theoretical study using Ab initio calculations

Abstract

Ab initio calculations at the VDZ and VDZ + P levels of theory of the two-proton transfer reaction within an isolated formamidine dimer give transition states with low symmetry, and with 6-31G* basis sets indicate stepwise two-proton transfers even in the absence of solvent.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1990, 82-83

Stepwise two-proton transfer within the formamidine dimer. A theoretical study using Ab initio calculations

P. Svensson, N. Bergman and P. Ahlberg, J. Chem. Soc., Chem. Commun., 1990, 82 DOI: 10.1039/C39900000082

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