## Abstract __Ab initio__ self‐consistent‐field (SCF) and configuration interaction (CI) calculations on the ground and excited states of carbonyl fluoride (F~2~CO) were carried out at its experimental ground‐state equilibrium geometry. Vertical transition energies deduced from the CI results provi
✦ LIBER ✦
Electronic spectrum of F2CO: theoretical calculations of vertical excitation energies and intensities
✍ Scribed by C. Lavín; A. M. Velasco; I. Martín; J. V. Pitarch-Ruíz; A. M. J. Sánchez de Merás; J. Sánchez-Marín
- Book ID
- 105886628
- Publisher
- Springer
- Year
- 2011
- Tongue
- English
- Weight
- 255 KB
- Volume
- 129
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Theoretical study on the vertical electr
✍
K. Vasudevan; F. Grein
📂
Article
📅
1978
🏛
John Wiley and Sons
🌐
English
⚖ 495 KB
Electronic structure and vertical excita
✍
George F. Adams; David R. Yarkony; Rodney J. Bartlett; George D. Purvis
📂
Article
📅
1983
🏛
John Wiley and Sons
🌐
English
⚖ 502 KB
## Abstract __Ab initio__ electronic structure calculations are reported for five electronic states of the methylene amidogen radical. Structure parameters for the ground electronic state are predicted by RHF and D‐MBPT (4) calculations. Vertical excitation energies were determined using four diffe
Comparative Theoretical Investigation of
✍
Victor N. Nemykin; Partha Basu
📂
Article
📅
2003
🏛
John Wiley and Sons
⚖ 52 KB
👁 1 views
CI (CIPSI) calculations of the vertical
CI (CIPSI) calculations of the vertical ionization and excitation energies of the formamide molecule
✍
Esther Oliveros; Monique Riviere; Christian Teichteil; Jean-Paul Malrieu
📂
Article
📅
1978
🏛
Elsevier Science
🌐
English
⚖ 375 KB
Theoretical Calculations on Excited Elec
✍
Silva, Cristina R.; Reilly, James P.
📂
Article
📅
1996
🏛
American Chemical Society
🌐
English
⚖ 776 KB
The electronic spectrum of the fluorobor
✍
Sunahori, Fumie X.; Clouthier, Dennis J.; Carter, Stuart; Tarroni, Riccardo
📂
Article
📅
2009
🏛
American Institute of Physics
🌐
English
⚖ 758 KB