Molecular Orbital Theory of the Electronic Structure of Organic Compounds I. Dioxodiazacycloalkanes
- Autores
- Marañon, Julio; Sorarrain, Oscar M.; Grinberg, Horacio; Lamdan, Samuel; Gaozza, Carlos H.
- Año de publicación
- 1976
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- 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.
Publicado on line en 2014.
Facultad de Ciencias Exactas - Materia
-
Química
Heterocyclic compounds
Molecular orbital theory - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- http://creativecommons.org/licenses/by-nc-nd/3.0/
- Repositorio
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/120290
Ver los metadatos del registro completo
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Molecular Orbital Theory of the Electronic Structure of Organic Compounds I. DioxodiazacycloalkanesMarañon, JulioSorarrain, Oscar M.Grinberg, HoracioLamdan, SamuelGaozza, Carlos H.QuímicaHeterocyclic compoundsMolecular orbital theoryThe 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.Publicado on line en 2014.Facultad de Ciencias Exactas1976info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf1677-1680http://sedici.unlp.edu.ar/handle/10915/120290enginfo:eu-repo/semantics/altIdentifier/issn/1865-7109info:eu-repo/semantics/altIdentifier/doi/10.1515/zna-1981-0512info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-nd/3.0/Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported (CC BY-NC-ND 3.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:28:29Zoai:sedici.unlp.edu.ar:10915/120290Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:28:29.598SEDICI (UNLP) - Universidad Nacional de La Platafalse |
dc.title.none.fl_str_mv |
Molecular Orbital Theory of the Electronic Structure of Organic Compounds I. Dioxodiazacycloalkanes |
title |
Molecular Orbital Theory of the Electronic Structure of Organic Compounds I. Dioxodiazacycloalkanes |
spellingShingle |
Molecular Orbital Theory of the Electronic Structure of Organic Compounds I. Dioxodiazacycloalkanes Marañon, Julio Química Heterocyclic compounds Molecular orbital theory |
title_short |
Molecular Orbital Theory of the Electronic Structure of Organic Compounds I. Dioxodiazacycloalkanes |
title_full |
Molecular Orbital Theory of the Electronic Structure of Organic Compounds I. Dioxodiazacycloalkanes |
title_fullStr |
Molecular Orbital Theory of the Electronic Structure of Organic Compounds I. Dioxodiazacycloalkanes |
title_full_unstemmed |
Molecular Orbital Theory of the Electronic Structure of Organic Compounds I. Dioxodiazacycloalkanes |
title_sort |
Molecular Orbital Theory of the Electronic Structure of Organic Compounds I. Dioxodiazacycloalkanes |
dc.creator.none.fl_str_mv |
Marañon, Julio Sorarrain, Oscar M. Grinberg, Horacio Lamdan, Samuel Gaozza, Carlos H. |
author |
Marañon, Julio |
author_facet |
Marañon, Julio Sorarrain, Oscar M. Grinberg, Horacio Lamdan, Samuel Gaozza, Carlos H. |
author_role |
author |
author2 |
Sorarrain, Oscar M. Grinberg, Horacio Lamdan, Samuel Gaozza, Carlos H. |
author2_role |
author author author author |
dc.subject.none.fl_str_mv |
Química Heterocyclic compounds Molecular orbital theory |
topic |
Química Heterocyclic compounds Molecular orbital theory |
dc.description.none.fl_txt_mv |
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. Publicado on line en 2014. Facultad de Ciencias Exactas |
description |
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. |
publishDate |
1976 |
dc.date.none.fl_str_mv |
1976 |
dc.type.none.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Articulo http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
format |
article |
status_str |
publishedVersion |
dc.identifier.none.fl_str_mv |
http://sedici.unlp.edu.ar/handle/10915/120290 |
url |
http://sedici.unlp.edu.ar/handle/10915/120290 |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/issn/1865-7109 info:eu-repo/semantics/altIdentifier/doi/10.1515/zna-1981-0512 |
dc.rights.none.fl_str_mv |
info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by-nc-nd/3.0/ Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported (CC BY-NC-ND 3.0) |
eu_rights_str_mv |
openAccess |
rights_invalid_str_mv |
http://creativecommons.org/licenses/by-nc-nd/3.0/ Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported (CC BY-NC-ND 3.0) |
dc.format.none.fl_str_mv |
application/pdf 1677-1680 |
dc.source.none.fl_str_mv |
reponame:SEDICI (UNLP) instname:Universidad Nacional de La Plata instacron:UNLP |
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SEDICI (UNLP) |
collection |
SEDICI (UNLP) |
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Universidad Nacional de La Plata |
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SEDICI (UNLP) - Universidad Nacional de La Plata |
repository.mail.fl_str_mv |
alira@sedici.unlp.edu.ar |
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1844616162944483328 |
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