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Issue 3, 1985
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Vibrationally assisted tunnelling (VAT) in a 1,5 hydrogen shift?

Abstract

Vibrationally assisted tunnelling (VAT), kinetic isotope effect, and MINDO/3 calculations are reported for the 1,5 hydrogen migration of penta-1,3-diene; from these calculations it is demonstrated that tunnelling affects the kinetic isotope effect of this rearrangement and that the 1,5 shift should proceed via VAT almost exclusively at 498 K.

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Article type: Paper
DOI: 10.1039/C39850000166
J. Chem. Soc., Chem. Commun., 1985, 166-168

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    Vibrationally assisted tunnelling (VAT) in a 1,5 hydrogen shift?

    M. J. S. Dewar, K. M. Merz and J. J. P. Stewart, J. Chem. Soc., Chem. Commun., 1985, 166
    DOI: 10.1039/C39850000166

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