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Ab initio study of spectroscopic constants and anharmonic force field of FCO2 radical

✍ Scribed by Yuting Sun; Meishan Wang; Chuanlu Yang; Yurong Guo

Book ID
108286082
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
173 KB
Volume
951
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES

Ab initio anharmonic force field and equ
Ab initio anharmonic force field and equilibrium structure of carbonyl chlorofluoride
✍ J. Demaison; A. Perrin; H. BΓΌrger πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 479 KB

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