Unrestricted Hartree-Fock calculations of spin density distributions in some alkyl radicals using the hetero-atom model for the methyl group

Unrestricted Hartree-Fock calculations of spin density distributions in ethyl, isopropyl and t-butyl radicals have been made using the hetero-atom model for the methyl group. The results of the present study indicate that the hetero-atom mode and the hyperconjugative model for the methyl group are comparable as far as the predictions of spin density values in alkyl radicals are concerned