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Calculations of chemical shifts for carbon, nitrogen and oxygen are presented. The method is similar to that proposed by Pople and Santry for N.M.R. coupling constants. Wave functions were calculated from an extended Hückel model without overlap and a restricted set of excited states used to evaluate the paramagnetic term. Using a single parameter for each atom reasonable results were obtained.
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Velenik et al. (1970) studied this question.
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