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Quantum-chemical calculations of carbon-13 chemical shifts of the alkoxide form in zeolites

โœ Scribed by Mal'kin, V. G.; Chesnokov, V. V.; Paukstis, E.; Zhidomirov, G. M.


Book ID
126960937
Publisher
American Chemical Society
Year
1990
Tongue
English
Weight
532 KB
Volume
112
Category
Article
ISSN
0002-7863

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Isotropic 13C chemical shifts of the ribose sugar in model RNA nucleosides are calculated using SCF and DFT-GIAO ab initio methods for different combinations of ribose sugar pucker, exocyclic torsion angle, and glycosidic torsion angle. Idealized conformations were obtained using structures that wer