Hyperfine coupling constants of organic radicals

Perera, S. Ajith; Salemi, Lynn M.
March 1997
Journal of Chemical Physics;3/8/1997, Vol. 106 Issue 10, p4061
Academic Journal
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.


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