A theoretical study of the emission spectra of indole and its analogs: indene, benzimidazole, and 7-azaindole
✍ Scribed by Luis Serrano-Andrés; Antonio Carlos Borin
- Book ID
- 108429130
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 191 KB
- Volume
- 262
- Category
- Article
- ISSN
- 0301-0104
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📜 SIMILAR VOLUMES
Dioxirane, dioxymethane, and the dioxymethane anion have been studied using multiconfigurational SCF and second-order perturbation theory (CASSCF/CASPTZ). The equilibrium geometries of the three systems have been determined for the lowest electronic states. The lowest excited state in dioxirane was
## Abstract __Proton‐transfer reactions of the radical anion and cation of the 7‐Azaindole (7AI) dimer were investigated by means of density functional theory (DFT). The calculated results for the dimer anion and cation were very similar. Three equilibrium structures, which correspond to the non‐pr