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Unrestricted Hartree-Fock calculations of spin density distributions in some alkyl radicals

✍ Scribed by N.K. Ray; P.T. Narasimhan

Publisher: Elsevier Science
Year: 1968
Tongue: English
Weight: 192 KB
Volume: 2
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(68)80149-6

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✦ Synopsis

Spin density distributions in ethyl, isopropyl and t-butyl radicals have been obtained by employing the unrestricted

Hartree-Fock procedures and using hyperconjugative and hyperconjugative-inductive models for the methyl group. The results are in quite good agreement with experiment.

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