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
Ab initio equilibrium geometry and conformational analysis of acetamide
✍ Scribed by V.J. Klimkowski; H.L. Sellers; Lothar Schäfer
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 200 KB
- Volume
- 54
- Category
- Article
- ISSN
- 0022-2860
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