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
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/120290
Acceder
id SEDICI_c74efd612fc3e99f1b5f1ef579736483
oai_identifier_str oai:sedici.unlp.edu.ar:10915/120290
network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling 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:UNLP2025-10-22T17:09:20Zoai: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:13292025-10-22 17:09:21.004SEDICI (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
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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score 12.982451

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