Molecular Orbital Theory of the Electronic Structure of Organic Compounds: IV. A CNDO/S-CI SCF MO Study on the Lower Electronic States of Large Molecules. Singlet-triplet Transitions of Dioxodiazacycloalkanes
The semiempirical molecular orbital CNDO/S-CI spectral parameterization has been used to elucidate the lower triplet electronic states of a series of dioxodiazacycloalkanes. The l3B2(no7r*) and l3A2(n0p) triplet spectroscopic states involve intramolecular charge transfer from the oxygen to the carbo...
Guardado en:
| Autores principales: | Grinberg, H., Marañon, J., Sorarrain, O.M. |
|---|---|
| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_09320784_v37_n3_p232_Grinberg |
| Aporte de: |
Ejemplares similares
-
Molecular Orbital Theory of the Electronic Structure of Organic Compounds IV : A CNDO/S-CI SCF MO Study on the Lower Electronic States of Large Molecules.
Singlet-triplet Transitions of Dioxodiazacycloalkanes
por: Grinberg, Horacio, et al.
Publicado: (1982) -
Molecular Orbital Theory of the Electronic Structure of Organic Compounds III. A CNDO/S-CI SCF MO Study on the Lower Electronic States o! Large Molecules. Singlet-Singlet Transitions of Dioxodiazacycloalkanes
por: Grinberg, H., et al. -
Molecular Orbital Theory of the Electronic Structure of Organic Compounds III : A CNDO/S-CI SCF MO Study on the Lower Electronic States of Large Molecules.
Singlet-Singlet Transitions of Dioxodiazacycloalkanes
por: Grinberg, Horacio, et al.
Publicado: (1981) -
Molecular Orbital Theory of the Electronic Structure of Organic Compounds: IV. A CNDO/S-CI SCF MO Study on the Lower Electronic States of Large Molecules. Singlet-triplet Transitions of Dioxodiazacycloalkanes
Publicado: (1982) -
Molecular Orbital Theory of the Electronic Structure of Organic Compounds III. A CNDO/S-CI SCF MO Study on the Lower Electronic States o! Large Molecules. Singlet-Singlet Transitions of Dioxodiazacycloalkanes
Publicado: (1981)