Cope Rearrangement of 1,5-Hexadiene: Full Geometry Optimizations Using Analytic MR-CISD and MR-AQCC Gradient Methods
Author:
Affiliation:
1. Institute for Theoretical Chemistry and Structural Biology, University of Vienna, Währingerstrasse 17, A-1090, Austria
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0259014
Reference41 articles.
1. The Introduction of Substituted Vinyl Groups. V. A Rearrangement Involving the Migration of an Allyl Group in a Three-Carbon System1
2. Kinetics of the cope rearrangement of 1,1-dideuteriohexa-1,5-diene
3. Boat and chair transition states of 1,5-hexadiene
4. Diastereomeric transition states. Relative energies of the chair and boat reaction pathways in the Cope rearrangement
5. Impact of upwardly revised Hf0 of primary, secondary, and tertiary radicals on mechanistic constructs in thermal reorganizations
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