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The Cope rearrangement. MINDO/3 studies of the rearrangements of 1,5-hexadiene and bicyclo[2.2.0]hexane

โœ Scribed by Dewar, Michael J. S.; Ford, George P.; McKee, Michael L.; Rzepa, Henry S.; Wade, Leslie E.

Book ID
127190392
Publisher
American Chemical Society
Year
1977
Tongue
English
Weight
571 KB
Volume
99
Category
Article
ISSN
0002-7863

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Ab initio study of the chair cope rearra
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Ab initio calculations up to the MP4SDQ16-31G\* level are reported for the chair Cope rearrangement of 1,5-hexadiene. These are consistent with a recent AMI study, which showed the reaction to take place via a biradicaloid intermediate. Recent AM 1 [ I] calculations [ 21 seem to have established tha

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