Semi-empirical SCF-MO calculations for a variety of reactions involving dihydrogen transfer to a π bond predict that the energy difference between the concerted pericyclic and the stepwise radical pair pathway is relatively insensitive to structural variation in the π bond, and indicate that the concerted route is favoured more by the AM1 than by the MNDO procedure.
D. K. Agrafiotis and H. S. Rzepa, J. Chem. Soc., Chem. Commun., 1987, 902 DOI: 10.1039/C39870000902
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