The calculation of nuclear overhauser effects in coupled spin systems
✍ Scribed by Joseph H Noggle
- Publisher
- Elsevier Science
- Year
- 1979
- Weight
- 682 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0022-2364
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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
We present ab initio perturbation calculations of the electronic spin᎐orbit interaction contributions to indirect spin᎐spin coupling tensors using linear and quadratic response methods. The effects of both the Fermi-contact and the spin᎐dipole interactions as well as the one-and two-electron spin᎐or