✦ LIBER ✦

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

✍ Scribed by Yong-Hong Li; San-Guo Hong; Shen Wang; Yi-Yuan Peng

Publisher: John Wiley and Sons
Year: 2010
Tongue: English
Weight: 208 KB
Volume: 15
Category: Article
ISSN: 0256-7660
DOI: 10.1002/cjoc.19970150105

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✦ Synopsis

AM1 molecular orbital method uing the unrestricted Hartree-F&( UHF) calculations has been applied to investigkte the thermal reaction of cyclohexadiene and methyl crotonate. The calculated reed& iqdicate that the thermal Diels-Alder reaction proceeds to product through the concerted path and two radical pathways.

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