Ab initio investigation of the Renner effect in the C3 molecule
✍ Scribed by Miljenko Perić; Jelena Radić-Perić
- Book ID
- 103020715
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 328 KB
- Volume
- 67
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Large-scale CI calculations are carried out to obtain accurate bending potential energy curves for the 1 3 A 1 and 2 3 B 1 components of the A 3 u electronic state of NCN and the electric transition moment functions for the A 3 u -X 3 - g spectral system of this molecule. These data are combined to
The six-dimensional potential energy surface of the ground state X 1 + of C 3 O has been generated by the CCSD(T) approach. The spectroscopic constants of this molecule are calculated and the vibrational spectrum is derived. The fundamentals are accurate to within 10 cm -1 compared to the available