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Ab initio calculations on the reaction of the chlorobenzene radical cation with ammonia

✍ Scribed by B. Wassermann; B. Brutschy


Book ID
113258001
Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
489 KB
Volume
284
Category
Article
ISSN
0166-1280

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Ab initio calculations on the benzyl rad
✍ A. Hinchliffe πŸ“‚ Article πŸ“… 1972 πŸ› Elsevier Science 🌐 English βš– 96 KB

An ab initio calculation of the ESR.proton coupling constants in the benzyl radical is reported. The results compare reasonably well with experLrnent aa~d are similar to those obtained from semi-empirical rr electron calculations.