Relationship of 13C NMR chemical shift tensors to diffraction structures
β Scribed by Grant, D. M. ;Liu, F. ;Iuliucci, R. J. ;Phung, C. G. ;Facelli, J. C. ;Alderman, D. W.
- Book ID
- 114515123
- Publisher
- International Union of Crystallography
- Year
- 1995
- Tongue
- English
- Weight
- 814 KB
- Volume
- 51
- Category
- Article
- ISSN
- 0108-7681
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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
This work explores the utility of simple rotary resonance experiments for the determination of the magnitude and orientation of 13 C chemical shift tensors relative to one or more 13 C-14 N internuclear axes from 13 C magic-angle-spinning NMR experiments. The experiment relies on simultaneous recoup