SCF MO INDO calculation of anisotropie hyperfine coupling tensors for σ-type radicals
✍ Scribed by Tetsuo Morikawa; Osamu Kikuchi; Kazuo Someno
- Publisher
- Springer
- Year
- 1972
- Tongue
- English
- Weight
- 141 KB
- Volume
- 24
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
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The magnetic hype&e coupling constants in NO2 and CO, have been computed by ab initio methods. Spin annihfition is found to be essential in order to obtain useful results for the dipolar couplings, but has much Less influence on the isotropic couplings. The electric quadrupole coupling constants hav