Ray, N. K. ; Narasimhan, P. T. (1968) Unrestricted Hartree-Fock calculations of spin density distributions in some alkyl radicals Chemical Physics Letters, 2 (1). pp. 59-60. 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)80149-6
Abstract
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.
Item Type: | Article |
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Source: | Copyright of this article belongs to Elsevier Science. |
ID Code: | 24233 |
Deposited On: | 29 Nov 2010 09:24 |
Last Modified: | 09 Jun 2011 11:41 |
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