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Your search keyword '"MCALLISTER, MICHAEL"' showing total 1 results
Start Over Author "MCALLISTER, MICHAEL" Topic alicyclic compounds Publication Year Range Last 50 years Language english Journal journal of the american chemical society
1 results on '"MCALLISTER, MICHAEL"'

1. Ab initio calculations of the ring opening of cyclobutene-1,2-diones and conformational...

Author

McAllister, Michael A. and Tidwell, Thomas T.

Subjects
*RING formation (Chemistry), *ALICYCLIC compounds
Abstract

Presents ab initio molecular orbital calculations of the structures and energies in the ring opening of cyclobutene-1,2-diones to form 1,3-butadiene-1,4-diones. Preference for twisted conformations; Ground state effects; Barriers for ring opening; Effects of substituents on the barriers and energy changes.

Published
1994
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