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Equilibrium structure and force field of NH2

✍ Scribed by Demaison, J.; Margul�s, L.; Boggs, James E.


Book ID
120213798
Publisher
Royal Society of Chemistry
Year
2003
Tongue
English
Weight
110 KB
Volume
5
Category
Article
ISSN
1463-9076

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Ab initio anharmonic force field and equ
✍ J. Demaison; A. Perrin; H. Bürger 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 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