Ab initio spectroscopic constants and th
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P. Botschwina; M. Oswald; J. Flügge; Ä. Heyl; R. Oswald
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Article
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1993
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Elsevier Science
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English
⚖ 822 KB
An accurate equilibrium geometry has been obtained for HCCF by combination of experimental and ab initio data at the CCSD(T) level: r,(CH) = 1. 1.1961 A and R\*,(CF) = 1.2765 A. Calculated and experimental spectroscopic constants for various isotopomers of monofluoroacetylene compare well with each