## 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
A spin-unrestricted MC SCF calculation of nuclear spin-spin coupling constants in the HCN molecule
✍ Scribed by Aatto I. Laaksonen; Victor R. Saunders
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 340 KB
- Volume
- 95
- Category
- Article
- ISSN
- 0009-2614
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