CCSD(T) Determination of the Vibrational Structure in the à 2 Σ + ← X̃ 2 Π Spectrum of CCO -
✍ Scribed by Bégué,, Didier; Carbonnière, Philippe; Pouchan, Claude
- Book ID
- 127335603
- Publisher
- American Chemical Society
- Year
- 2001
- Tongue
- English
- Weight
- 45 KB
- Volume
- 105
- Category
- Article
- ISSN
- 1089-5639
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📜 SIMILAR VOLUMES
and references therein) to make a detailed calculation of the rovibronic energies in the first excited electronic state, Ã 2 , of the MgNC radical. This calculation is based on ab initio data (supplemented here with points for larger bending displacements from linearity) calculated at the level of M
Rccewcd 22 July 198' A113iys1s of new cm6sion spectra of i 2?.Y-X"2~ m NzO+. InchdIng the forhddcn components w1th&2 = I. have made II posslblc to loc;ltc ail four vlbromc components of IIIC &' = 1 manifold Prtnctpal rot;lhonal constants and sptnvibronlc term vslucs xc given A previous cswnac ol the
The forbidden \(\dot{A}(010)^{2} \Sigma^{(+)},{ }^{2} \Sigma^{(-)}-\dot{X}(000)^{2} \Sigma^{+}\)parallel bands of \(\mathrm{CaOH}\), which gain transition strength through vibronic mixing between different electronic states, have been observed via laserinduced fluorescence. The fundamental bending f