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- W1489014778 abstract "Abstract We report calculations of the vibrational IR frequencies of a group of six alcohols and eight ethers. The calculations were performed with the Gaussian 86 or Gaussian 88 program packages using 3–21G basis sets. Assignments were made by inspecting the nuclear motions in each mode. The purpose of the computations is the derivation of a set of correction factors relating computed and experimental frequencies." @default.
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- W1489014778 date "1991-01-01" @default.
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- W1489014778 title "Theoretical prediction of structures and infrared frequencies" @default.
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- W1489014778 doi "https://doi.org/10.1016/0166-1280(91)85005-r" @default.
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