Interpretation of Indirect Nuclear Spin—Spin Coupling Constants
✍ Scribed by Olga L. Malkina
- Publisher
- John Wiley and Sons
- Year
- 2005
- Weight
- 8 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0931-7597
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📜 SIMILAR VOLUMES
## Abstract We present calculations of indirect nuclear spin–spin coupling constants in large molecular systems, performed using density functional theory. Such calculations, which have become possible because of the use of linear‐scaling techniques in the evaluation of the Coulomb and exchange‐cor
## Abstract Conformational study of 2‐(2‐pyrrolyl)pyridine and 2,6‐di(2‐pyrrolyl)pyridine was performed on the basis of the experimental measurements and high‐level __ab initio__ calculations of the one‐bond ^13^C–^13^C, ^13^C–^1^H and ^15^N–^1^H spin–spin coupling constants showing marked stereoch