Theoretical Study of the trans-3,6-Dimethoxy-1,2,4-trioxane Molecule

Autores
Jorge, Nelly; Gómez-Vara, M.; Cafferata, Lázaro F. R.; Castro, Eduardo Alberto
Año de publicación
2001
Idioma
español castellano
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The molecule of trans-3,6-dimethoxy-1,2,4-trioxane has been studied by the semiempirical molecular orbital AM1 and PM3 methods. The numerical results of the structural study have been analyzed in terms of several stereoelectronic effects and compared with available experimental data. Theoretical predictions derived from both methods are in a good agreement with each other.
Facultad de Ciencias Exactas
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by-nc-sa/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/132985
Acceder
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oai_identifier_str oai:sedici.unlp.edu.ar:10915/132985
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repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Theoretical Study of the trans-3,6-Dimethoxy-1,2,4-trioxane MoleculeJorge, NellyGómez-Vara, M.Cafferata, Lázaro F. R.Castro, Eduardo AlbertoThe molecule of trans-3,6-dimethoxy-1,2,4-trioxane has been studied by the semiempirical molecular orbital AM1 and PM3 methods. The numerical results of the structural study have been analyzed in terms of several stereoelectronic effects and compared with available experimental data. Theoretical predictions derived from both methods are in a good agreement with each other.Facultad de Ciencias Exactas2001info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf1314-1317http://sedici.unlp.edu.ar/handle/10915/132985spainfo:eu-repo/semantics/altIdentifier/issn/1070-3632info:eu-repo/semantics/altIdentifier/issn/1608-3350info:eu-repo/semantics/altIdentifier/doi/10.1023/a:1013201802091info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:31:43Zoai:sedici.unlp.edu.ar:10915/132985Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:31:43.409SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Theoretical Study of the trans-3,6-Dimethoxy-1,2,4-trioxane Molecule
title Theoretical Study of the trans-3,6-Dimethoxy-1,2,4-trioxane Molecule
spellingShingle Theoretical Study of the trans-3,6-Dimethoxy-1,2,4-trioxane Molecule
Jorge, Nelly
title_short Theoretical Study of the trans-3,6-Dimethoxy-1,2,4-trioxane Molecule
title_full Theoretical Study of the trans-3,6-Dimethoxy-1,2,4-trioxane Molecule
title_fullStr Theoretical Study of the trans-3,6-Dimethoxy-1,2,4-trioxane Molecule
title_full_unstemmed Theoretical Study of the trans-3,6-Dimethoxy-1,2,4-trioxane Molecule
title_sort Theoretical Study of the trans-3,6-Dimethoxy-1,2,4-trioxane Molecule
dc.creator.none.fl_str_mv Jorge, Nelly
Gómez-Vara, M.
Cafferata, Lázaro F. R.
Castro, Eduardo Alberto
author Jorge, Nelly
author_facet Jorge, Nelly
Gómez-Vara, M.
Cafferata, Lázaro F. R.
Castro, Eduardo Alberto
author_role author
author2 Gómez-Vara, M.
Cafferata, Lázaro F. R.
Castro, Eduardo Alberto
author2_role author
author
author
dc.description.none.fl_txt_mv The molecule of trans-3,6-dimethoxy-1,2,4-trioxane has been studied by the semiempirical molecular orbital AM1 and PM3 methods. The numerical results of the structural study have been analyzed in terms of several stereoelectronic effects and compared with available experimental data. Theoretical predictions derived from both methods are in a good agreement with each other.
Facultad de Ciencias Exactas
description The molecule of trans-3,6-dimethoxy-1,2,4-trioxane has been studied by the semiempirical molecular orbital AM1 and PM3 methods. The numerical results of the structural study have been analyzed in terms of several stereoelectronic effects and compared with available experimental data. Theoretical predictions derived from both methods are in a good agreement with each other.
publishDate 2001
dc.date.none.fl_str_mv 2001
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/10915/132985
url http://sedici.unlp.edu.ar/handle/10915/132985
dc.language.none.fl_str_mv spa
language spa
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info:eu-repo/semantics/altIdentifier/issn/1608-3350
info:eu-repo/semantics/altIdentifier/doi/10.1023/a:1013201802091
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
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Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
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1314-1317
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instname:Universidad Nacional de La Plata
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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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