Ray, N. K. ; Narasimhan, P. T. (1968) Unrestricted Hartree-Fock calculations of spin density distributions in some alkyl radicals using the hetero-atom model for the methyl group Chemical Physics Letters, 2 (2). pp. 101-104. ISSN 0009-2614
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Official URL: http://linkinghub.elsevier.com/retrieve/pii/000926...
Related URL: http://dx.doi.org/10.1016/0009-2614(68)80060-0
Abstract
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.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 24228 |
| Deposited On: | 29 Nov 2010 09:24 |
| Last Modified: | 09 Jun 2011 11:40 |
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