A theoretical analysis of the relative roles of ground and excited states in the bond rupture and hydrogen migration pathways in ethyl and vinyl radicals
- 1 September 1983
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 104 (1-2) , 163-178
- https://doi.org/10.1016/0166-1280(83)80015-3
Abstract
No abstract availableKeywords
This publication has 65 references indexed in Scilit:
- Theory of the Rydberg spectrum of triatomic hydrogenThe Journal of Chemical Physics, 1979
- Rydberg states of H3The Journal of Chemical Physics, 1979
- The photodissociation of formaldehyde: Potential energy surface featuresThe Journal of Chemical Physics, 1979
- Absolute rate of the reaction of atomic hydrogen with ethylene from 198 to 320 K at high pressureThe Journal of Chemical Physics, 1978
- A theory of free radical reactionsJournal of the American Chemical Society, 1977
- Ethyl radical isomerization. A 1,2-hydrogen (deuterium) shift in the pyrolysis of 1,1,1-trideuterioethaneThe Journal of Physical Chemistry, 1976
- Localized molecular orbital studies of chemical reactions. Deformation, rearrangement, and spin polarization of bonds involved in radical reactionsJournal of the American Chemical Society, 1976
- Influence of spin contamination and basis set on electrostatic potential and Hfs coupling constants of organic radicalsTheoretical Chemistry Accounts, 1976
- The rate of addition of hydrogen atoms to olefins: Isobutane and ethyleneInternational Journal of Chemical Kinetics, 1969
- Unimolecular Decomposition in Nonequilibrium Systems. sec-Butyl and sec-Butyl-d1 Radicals Produced by Chemical Activation at Different Levels of Vibrational ExcitationThe Journal of Chemical Physics, 1963