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A MNDO study of the geometries and rotational barriers of conjugated cations and radical cations

✍ Scribed by Janet N. Younathan; Marye Anne Fox

Book ID
119117151
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
526 KB
Volume
163
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES

The electronic structure of cis- and tra
The electronic structure of cis- and trans-decalin radical cations in halocarbon matrices: an ESR and MNDO study
✍ V.I. Melekhov; O.A. Anisimov; L. SjΓΆqvist; A. Lund πŸ“‚ Article πŸ“… 1990 πŸ› Elsevier Science 🌐 English βš– 642 KB

The ESR spectra of radical cations of cis-and trans-deealin have been recorded in different halocarbon matrices within the temperature range 4.2 IO 130 K. The ground-state structures of both isomers have been calculated using the UHF/MNDO technique and found to be 'As or ZB, for transdecalin+ and 'A