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Anharmonic force field and equilibrium structure of nitric acid

✍ Scribed by C. Gutle; J. Demaison; H.D. Rudolph

Book ID
108185297
Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
242 KB
Volume
254
Category
Article
ISSN
0022-2852

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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