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- W2057086596 abstract "Vibrational frequencies of malonaldehyde and two of its deuterated isotopes have been reassigned with the aid of theoretical frequencies at MP2/6-31G*//MP2/6-31G* level with augmented diffused and polarized functions on the hydrogen bonded proton. By normal mode analysis using the cartesian force constants from ab initio calculations and from the comparison of the calculated and observed intensities a new assignment has been suggested for malonaldehyde and its deuterated isotopes." @default.
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- W2057086596 title "On the reassignment of vibrational frequencies of malonaldehyde" @default.
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- W2057086596 doi "https://doi.org/10.1016/s1386-1425(97)00209-6" @default.
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