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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.

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Spelling suggestions: "subject:"tetrafluorooxirane"" "subject:"tetrafluoroethane""

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Theoretical Evidence for Reassignment of Two Fundamental Vibrational Modes of Tetrafluorooxirane-<sup>16</sup>O and -<sup>18</sup>O

Liu, Ruifeng, Clark, Jeffrey A., Krauser, Joel A., Tate, Dennis R., Moody, Paula R., Vanburen, Alex S. 01 January 1996 (has links)
Ab initio and density functional theory calculations confirm Craig's assignment of the fundamental vibrational modes of tetrafluorooxirane with the exception that assignments of the C-F stretching modes v9 (b1) and v13 (b2) should be exchanged. The calculated structural parameters are in good agreement with results of microwave studies except for the C-C bond length for which all the calculated results are slightly too long.
Ab initio calculations
density functional theory
fundamental vibrational modes
tetrafluorooxiranes

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