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Theoretical interpretation of spin density distributions in certain alkyl radicals

โœ Scribed by I. A. Abronin; G. M. Zhidomirov; A. L. Buchachenko


Publisher
SP MAIK Nauka/Interperiodica
Year
1970
Tongue
English
Weight
365 KB
Volume
11
Category
Article
ISSN
0022-4766

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Unrestricted Hartree-Fock calculations o
โœ N.K. Ray; P.T. Narasimhan ๐Ÿ“‚ Article ๐Ÿ“… 1968 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 192 KB

## 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.