Density functional methods are used to calculate the isotropic and anisotropic hyperfine interactions for the 3-methyl indole cation and neutral free radicals. Calculated couplings are compared with experimental determinations for in vivo tryptophan-based radicals. The cation and anion radicals can
β¦ LIBER β¦
Calculation of the 1H, 13C, 14N and 33S hyperfine tensors of the 1,3,2-dithiazol-2-yl radical using hybrid density functionals
β Scribed by Saba M. Mattar
- Book ID
- 108312748
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 454 KB
- Volume
- 300
- Category
- Article
- ISSN
- 0009-2614
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