Multidimensional Tunneling in the [1,5] Shift in (Z)-1,3-Pentadiene: How Useful Are Swain−Schaad Exponents at Detecting Tunneling?
Author:
Affiliation:
1. Department of Chemistry, Randolph-Macon College, Ashland, Virginia 23005
Publisher
American Chemical Society (ACS)
Subject
Organic Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jo702668u
Reference53 articles.
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2. Effect on Kinetics by Deuterium in the 1,5-Hydrogen Shift of a Cisoid-Locked 1,3(Z)-Pentadiene, 2-Methyl-10-methylenebicyclo[4.4.0]dec-1-ene: Evidence for Tunneling?
3. Ground states of molecules. XXII. Incorporation of partial configuration interaction in MINDO [modified intermediate neglect of differential overlap]/2 and its application to bond dissociation energies and sigmatropic rearrangements
4. Theoretical studies of [1,n]-sigmatropic rearrangements involving hydrogen transfer in simple methyl-substituted conjugated polyenes
5. The mechanism of the thermal [1,5]-H shift in cis-1,3-pentadiene. Kinetic isotope effect and vibrationally assisted tunneling
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