High-accuracy extrapolated ab initio thermochemistry of the vinyl, allyl, and vinoxy radicals

Daniel P Tabor1, Michael E Harding, Takatoshi Ichino

  • 1Institute for Theoretical Chemistry, Department of Chemistry and Biochemistry, The University of Texas at Austin, 105 E. 24th St., A5300, Austin, Texas 78712-0165, USA.

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The allyl systems have identical molecular orbitals but differ in the number of π electrons.
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