A computer program is used to determine the position of the lanthanide ion which maximizes the correlation between the induced shift and the geometric factor (3 cos2θ–1)r–3; its use to demonstrate the significance of the angle term and in conformational analysis is described.
S. Farid, A. Ateya and M. Maggio, J. Chem. Soc. D, 1971, 1285 DOI: 10.1039/C29710001285
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