Quantum Chemical Modeling of Through-Hydrogen Bond Spin-Spin Coupling in Amides and Ubiquitin
✍ Scribed by Alessandro Bagno
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 215 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0947-6539
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📜 SIMILAR VOLUMES
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The two-bond "N,H coupling constant in 3,5dimethylpyridine was determined in 30 solvents and shown to vary between -11 and -3 Hz. An increasing ability of the solvent to form hydrogen bonds causes a steady decrease in I \*J("N,H) I , which is also observed with some selected pyridine derivatives wit
Predictive quantum chemical methods based upon coupled cluster theory of spin-spin coupling constants offer a direct tool to explore a variety of questions concerning the relationship between coupling constants and intermolecular distances, molecular orientation, changes in hybridization and related