The quadratic, cubic, and semi-diagonal quartic force field of O@CFCl has been calculated at the MP2 level of theory employing a basis set of triple-zeta quality. The spectroscopic constants derived from the force field are in excellent agreement with those from previous and new experiments. The equ
✦ LIBER ✦
Ab initio anharmonic force field, molecular parameters, equilibrium structure and enthalpy of formation of fluoroform
✍ Scribed by Breidung, J.; Cosléou, J.; Demaison *, J.; Sarka, K.; Thiel, W.
- Book ID
- 121404640
- Publisher
- Taylor and Francis Group
- Year
- 2004
- Tongue
- English
- Weight
- 224 KB
- Volume
- 102
- Category
- Article
- ISSN
- 0026-8976
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