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SCF calculation of the spin density distributions in some nitrile radical anions

✍ Scribed by A. Hinchliffe; M. A. Ali

Publisher
Springer
Year
1966
Tongue
English
Weight
193 KB
Volume
5
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

Spin density distributions in some fluor
Spin density distributions in some fluorinated radical anions
✍ N.K. Ray πŸ“‚ Article πŸ“… 1969 πŸ› Elsevier Science 🌐 English βš– 244 KB

A one-parameter relation between isotropic fluorine splitting and %electron spin density on attached carbon is shown to be adequate to explain the fluorine splittings in various fluorinated radical anions.

Unrestricted Hartree-Fock calculations o
Unrestricted Hartree-Fock calculations of spin density distributions in some alkyl radicals
✍ N.K. Ray; P.T. Narasimhan πŸ“‚ Article πŸ“… 1968 πŸ› Elsevier Science 🌐 English βš– 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.

Additivity model for calculations of UHF
Additivity model for calculations of UHF spin densities in some aza-aromatic radical anions
✍ K. K. Sharma πŸ“‚ Article πŸ“… 1978 πŸ› John Wiley and Sons 🌐 English βš– 204 KB

## Abstract The additivity model suggested by Moss et al. has been applied for predicting spin densities in aza‐aromatic radical anions. The core‐resonance integrals (Ξ²~__rs__~) have been evaluated using Linderberg's relation. The spin‐density values calculated using the additivity model, have been