Unrestricted Hartree-Fock calculations of spin density distributions in some alkyl radicals

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

Full text not available from this repository.

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
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

Repository Staff Only: item control page