TITLE

Hyperfine coupling constants of organic radicals

AUTHOR(S)
Perera, S. Ajith; Salemi, Lynn M.
PUB. DATE
March 1997
SOURCE
Journal of Chemical Physics;3/8/1997, Vol. 106 Issue 10, p4061
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Explains the analytical calculation of the isotropic hyperfine coupling constants of several organic radicals using the coupled cluster 'relaxed density' matrix approach. Factors that determine the accuracy of calculated results; Methods used to assess dynamic correlation.
ACCESSION #
4171631

 

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