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Vibrational frequencies and IR band intensities for 18 isotopomers of uracil, including deuterated 15 N and 18 O species, have been calculated using the scaled ab initio force field of Ref. 1. The results obtained are compared with available experimental data, and a number of refinements in former assignments are proposed. The good agreement between the calculated and experimental frequencies confirms the reliability of the scaled quantum mechanical‐force field.
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Császár et al. (1988) studied this question.
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