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Quantum chemical study on the thermal Diels‐Alder reaction of cyclohexadiene and methyl crotonate

Quantum chemical study on the thermal Diels‐Alder reaction of cyclohexadiene and methyl crotonate AM1 molecular orbital method using the unrestricted Hartree‐Fock(UHF) calculations has been applied to investigate the thermal reaction of cyclohexadiene and methyl crotonate. The calculated results indicate that the thermal Diels‐Alder reaction proceeds to product through the concerted path and two radical pathways. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Chinese Journal of Chemistry Wiley

Quantum chemical study on the thermal Diels‐Alder reaction of cyclohexadiene and methyl crotonate

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References (1)

Publisher
Wiley
Copyright
Copyright © 1997 Wiley Subscription Services, Inc., A Wiley Company
ISSN
1001-604X
eISSN
1614-7065
DOI
10.1002/cjoc.19970150105
Publisher site
See Article on Publisher Site

Abstract

AM1 molecular orbital method using the unrestricted Hartree‐Fock(UHF) calculations has been applied to investigate the thermal reaction of cyclohexadiene and methyl crotonate. The calculated results indicate that the thermal Diels‐Alder reaction proceeds to product through the concerted path and two radical pathways.

Journal

Chinese Journal of Chemistry – Wiley

Published: Jan 1, 1997

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