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Ab initio Spectroscopic constants and the equilibrium geometry of HCCF: Chem. Phys. Letters 209 (1993) 177)

✍ Scribed by P. Botschwina; M. Oswald; J. Flügge; Ä Heyl; R. Oswald


Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
25 KB
Volume
215
Category
Article
ISSN
0009-2614

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Ab initio spectroscopic constants and th
✍ P. Botschwina; M. Oswald; J. Flügge; Ä. Heyl; R. Oswald 📂 Article 📅 1993 🏛 Elsevier Science 🌐 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