Dithiazolyl radicals, computated hyperfine

Consequently, structures 85b and 85c must be considered resonance structures rather than valence isomers. Hyperfine coupling constants were computed for a series of dithiazolyl radicals and related compounds [96MRC913]. An absolute mean deviation of 0.12 mT with respect to experimental data is reported for 10 sulfur hyperfine coupling constants obtained from UB3-LYP/TZVP calculations. 

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