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
The semiempirical molecular orbital CNDO/S-CI spectral parameterization has been used to elucidate the lower electronic states of a series of dioxodiazacycloalkanes. The a₁, b₁, and a' occupied molecular orbitals lie predominantly on the oxygen, while a₂, b₂, and a" are largerly nonbonding...
Guardado en:
| Autores principales: | Grinberg, Horacio, Sbarbati Nudelman, Norma, Marañon, Julio, Sorarrain, Oscar M., Gómez, Carlos F. |
|---|---|
| Formato: | Articulo |
| Lenguaje: | Inglés |
| Publicado: |
1981
|
| Materias: | |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/120321 |
| 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: IV. A CNDO/S-CI SCF MO Study on the Lower Electronic States of Large Molecules. Singlet-triplet 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 o! Large Molecules. Singlet-Singlet Transitions of Dioxodiazacycloalkanes
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)