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Electronic structure and properties of the benzyl, anilino and phenoxyl radicals

✍ Scribed by Alan Hinchliffe

Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
228 KB
Volume
43
Category
Article
ISSN
0022-2860

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AB initio molecular orbital calculations
AB initio molecular orbital calculations on the benzyl, anilino and phenoxyl radicals
✍ A. Hinchliffe πŸ“‚ Article πŸ“… 1974 πŸ› Elsevier Science 🌐 English βš– 214 KB

We report a high quality gaussian orbital calculation on the benzyl, anilino and phenoxyl radicals. We have also calculated the ESR hyperfine coupling constants for these radicals and find reasonably good agreement with experiment.