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The electronic spectra of unsaturated hydrocarbons a VESCF-CI treatment

✍ Scribed by Norman L. Allinger; Julia Chow Tai; Thomas W. Stuart


Publisher
Springer
Year
1967
Tongue
English
Weight
1013 KB
Volume
8
Category
Article
ISSN
1432-2234

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We report a systematic study of the relation between the electronic spectra of nitroxide free radicals and their deviation from planarity, taking H2NO as a model compound. Using a MCSCF/CI treatment specifically designed to account for the characteristics of the nitroxide group, we have shown that t