A theoretical study has been performed on the five lowest excited states of the ozone molecule using multiconfigurational second-order perturbation theory (CASPT2). The predicted order of states is: 3A 2 (T O = 1.15 eV), 3B 2 (T O = 1.33 eV), 3B 1 (T O ---1.33 eV), 1A 2 (T O = 1.44 eV) and 1B 1 (T O
β¦ LIBER β¦
Stability and Dissociation Dynamics of the Low-Lying Excited States of Ozone
β Scribed by Garner, M. C.; Hanold, K. A.; Resat, M. Sowa; Continetti, R. E.
- Book ID
- 126305818
- Publisher
- American Chemical Society
- Year
- 1997
- Tongue
- English
- Weight
- 180 KB
- Volume
- 101
- Category
- Article
- ISSN
- 1089-5639
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