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An excellent linear correlation is found between a large body of experimental spin–spin carbon–carbon couplings, J(CC), and B3PW91/6-311++G(d,p)//B3PW91/6-311++G(d,p) calculated estimates. The correlation does not differ significantly from the simplest relationship possible, J(CC) exp. =J(CC) calcd. , within a small and random spread of about 1Hz. There are 257 experimental values...
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