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• W2007466458 abstract "An accurate equilibrium geometry has been obtained for HCCF by combination of experimental and ab initio data at the CCSD (T) level: re(CH) = 1.0591 Å, R1e(CC) = 1.1961 Å and R2e(CF) = 1.2765 Å. Calculated and experimental spectroscopic constants for various isotopomers of monofluoroacetylene compare well with each other and many predictions are made. The performance of CCSD (T) for the equilibrium geometries of ten different molecules is examined and excellent agreement with the best available equilibrium structures is found." @default.
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• W2007466458 date "1993-06-01" @default.
• W2007466458 modified "2023-09-29" @default.
• W2007466458 title "Ab initio spectroscopic constants and the equilibrium geometry of HCCF" @default.
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• W2007466458 doi "https://doi.org/10.1016/0009-2614(93)87212-l" @default.
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