Molecular Orbital Theory of the Electronic Structure of Organic Compounds I. Dioxodiazacycloalkanes
The stability of some heterocyclic compounds derived from the condensation of succinic and glutaric anhydrides with aliphatic diamines is compared using calculated values for the total energies. Further, some results derived from the electronic population analysis and the available experimental data...
Guardado en:
| Autores principales: | , , , , |
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| Formato: | Articulo |
| Lenguaje: | Inglés |
| Publicado: |
1976
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| Materias: | |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/120290 |
| Aporte de: |
| Sumario: | The stability of some heterocyclic compounds derived from the condensation of succinic and glutaric anhydrides with aliphatic diamines is compared using calculated values for the total energies. Further, some results derived from the electronic population analysis and the available experimental data are used to give information about the corresponding electronic structure. The CNDO/2 and INDO methods have been used for the calculations. |
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