Theoretical study of the C3S molecule
β Scribed by A. Zaidi; S. Lahmar; Z. Ben Lakhdar; P. Rosmus; M. Hochlaf
- Publisher
- Springer
- Year
- 2005
- Tongue
- English
- Weight
- 377 KB
- Volume
- 114
- Category
- Article
- ISSN
- 1432-2234
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π SIMILAR VOLUMES
Using ab initio calculations based on geometry optimizations at the MP2/DZ2P level various structural and bonding features of the Si3C 2 system have been investigated. The energies of the MP2 optimized structures are calculated using singles and doubles coupled cluster (CCSD) theory and the CCSD(T)
Upon request of experimentalists now engaged in high-resolution spectroscopic investigations of the molecule KRb, we have determined the potential energy of electronic states 2SΟ©1 β³ (Ο©) correlating up to the limit K(5p) Ο© Rb(5s) and of electronic states β (Ο©/Οͺ) correlating up to the limit K(4s) Ο© Rb