This article is cited in 4 papers

Systematic estimation of isotropic hyperfine coupling constants for protons in free radicals

N. D. Chuvylkin^a, A. M. Tokmachev<sup>b

a</sup> N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russian Federation
^b Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation

Abstract: Modified formalism of consistent quantum-chemical estimations of contact interactions between magnetic moments of an unpaired electron and protons, when the spin populations of atoms are determined in the basis of symmetrically orthogonalised atomic orbitals, is presented and examined using the H₂C=CH_α·test free radical as an example.

Language: English

DOI: 10.1070/MC1999v009n05ABEH001093

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