The radical SeCl: A theoretical contribution to the characterization of its low-lying electronic states
β Scribed by Willian Hermoso; Fernando R. Ornellas
- Book ID
- 113533248
- Publisher
- Elsevier Science
- Year
- 2012
- Tongue
- English
- Weight
- 472 KB
- Volume
- 397
- Category
- Article
- ISSN
- 0301-0104
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π SIMILAR VOLUMES
The low-lying electronic states of the CCCF radical and its ionic states have been investigated systematically using the complete active space self-consistent field (CASSCF) and multiconfiguration second-order perturbation theory (CASPT2) methods in conjunction with aug-cc-pVTZ basis set. To investi
Estcnsi~ con~~ur3tion interaction calculations (lOO0 to 1500 detemlina~ts) have been carried out for the six Iow-lying valence states of carbon dioxide in order to provide reliable assignments for the transitions to these. state% In addition, Hartree-Fock calcui~t~#ns were performed on the lowest fi