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Ab initio calculations on the benzyl radical

✍ Scribed by A. Hinchliffe

Publisher: Elsevier Science
Year: 1972
Tongue: English
Weight: 96 KB
Volume: 13
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(72)85022-x

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✦ Synopsis

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.

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