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The general harmonic force field of methyl fluoride

Law, M.M., Duncan, J.L. and Mills, I. (1992) The general harmonic force field of methyl fluoride. Journal of Molecular Structure: THEOCHEM, 260. pp. 323-331. ISSN 0166-1280

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To link to this article DOI: 10.1016/0166-1280(92)87052-2

Abstract/Summary

The complete general harmonic force field of methyl flouride was recalculated using the most recent literature frequency, Coriolis ζ, and centrifugal distortion data for 12CH3F, 13CH3F, 12CD3F, 12CHD2F and 12CH2DF. The anharmonic corrections applied to the observed frequency data and the adopted molecular geometry are considered to be more realistic than those used hitherto. There is excellent overall agreement between the fitted force constants and the highest quality ab initio force field currently available.

Item Type:Article
Refereed:Yes
Divisions:Faculty of Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
ID Code:7603
Publisher:Elsevier

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