On the Mechanism of the cis−trans Isomerization in the Lowest Electronic States of Azobenzene: S0, S1, and T1
✍ Scribed by Cembran, Alessandro; Bernardi, Fernando; Garavelli, Marco; Gagliardi, Laura; Orlandi, Giorgio
- Book ID
- 111937734
- Publisher
- American Chemical Society
- Year
- 2004
- Tongue
- English
- Weight
- 531 KB
- Volume
- 126
- Category
- Article
- ISSN
- 0002-7863
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The laser-induced fluorescence and phosphorescence excitation spectra of 2-methylpyrazine are reported. Vibrational and methyl torsional assignments have been made. Methyl torsional parameters for the So, T, and S, electronic states have been determined from these data and are discussed in terms of
## Abstract Combined CI‐HY method calculations are reported for the ground and first three excited __S__ states of He with an error on the order of 10^−7^ a.u. within the same 120‐term basis. For He ^1^__P__, the four lowest states are obtained with an error ≤2 × 10^−6^ a.u. within the same 102‐ter