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-Reference-Cited by-同舟云学术

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

Published:1983-09 Issue:1-2 Volume:104 Page:163-178
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Sevin A.,Yu H.T.,Evleth E.M.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference74 articles.

1. Structure and stability of the carbocations C2H3+ and C2H4X+, X = hydrogen, fluorine, chlorine, and methyl. Ab initio investigation including electron correlation and a comparison with MINDO/3 results

2. Molecular orbital theory of the electronic structure of organic molecules. 40. Structures and energies of C1-C3 carbocations including effects of electron correlation

3. Photodissociation of the formaldehyde molecule: does it or doesn't it?

4. An ab initio study of the rearrangement of carbonyl compounds to oxacarbenes

5. A theoretical study concerning mechanisms of the molecular rearrangement of carbonyl compounds to oxacarbenes in the lowest triplet state

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