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Ab initio and INDO SCF MO study of monosubstituted hydrazyl radicals

โœ Scribed by Peter Smith; William H. Donovan


Book ID
113257071
Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
941 KB
Volume
204
Category
Article
ISSN
0166-1280

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Minimal basis set non-empiricral SCF LCAO MO calculations on cyclooctatetiaene I, its &anion11 and its bicyclic valence tautomer III kad to i: ring inversion barrier of 17.8 kiral/mde for the ptient molecu!+ a phnar D,h structure for the dianion, and an energy difference of 3.9 kuijmok: bchveen I an