An improved two-parameter omega technique (itpot) for molecular orbital calculatlons

Bond lengths are calculated for tweive aromatic hydrocarbons by way of the ITPOT and a modified Coulson's equatlon. Comparlsons are made with respect to other theoretlcal results as well as with avallable experimental data. The predlctive capabiilties of the ITPOT and the modified Coulson'...

Full description

Autores:
Barbiric, Dora J.
Castro, Eduardo A.
Fernández, Francisco M.
Tipo de recurso:
Article of journal
Fecha de publicación:
1983
Institución:
Universidad Nacional de Colombia
Repositorio:
Universidad Nacional de Colombia
Idioma:
spa
OAI Identifier:
oai:repositorio.unal.edu.co:unal/24842
Acceso en línea:
https://repositorio.unal.edu.co/handle/unal/24842
http://bdigital.unal.edu.co/15879/
Palabra clave:
Longitudes
Hidrocarburos aromáticos
Técnica omega biparamétrica
Ecuación de Coulson
Rights
openAccess
License
Atribución-NoComercial 4.0 Internacional
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repository_id_str
spelling Atribución-NoComercial 4.0 InternacionalDerechos reservados - Universidad Nacional de Colombiahttp://creativecommons.org/licenses/by-nc/4.0/info:eu-repo/semantics/openAccesshttp://purl.org/coar/access_right/c_abf2Barbiric, Dora J.d39e03ca-02f3-4d4c-8f3c-1c3105b9ac10300Castro, Eduardo A.e38e94be-5de6-4b1f-a736-fd3c4a45a837300Fernández, Francisco M.1576fde5-754f-42b1-b8e3-a02a07156e6a3002019-06-25T22:44:27Z2019-06-25T22:44:27Z1983https://repositorio.unal.edu.co/handle/unal/24842http://bdigital.unal.edu.co/15879/Bond lengths are calculated for tweive aromatic hydrocarbons by way of the ITPOT and a modified Coulson's equatlon. Comparlsons are made with respect to other theoretlcal results as well as with avallable experimental data. The predlctive capabiilties of the ITPOT and the modified Coulson's equatlon are pointed out.application/pdfspaUniversidad Nacional de Colombiahttp://revistas.unal.edu.co/index.php/rcolquim/article/view/10607Universidad Nacional de Colombia Revistas electrónicas UN Revista Colombiana de QuímicaRevista Colombiana de QuímicaRevista Colombiana de Química; Vol. 12, núm. 1 (1983); 17-24 0120-2804Barbiric, Dora J. and Castro, Eduardo A. and Fernández, Francisco M. (1983) An improved two-parameter omega technique (itpot) for molecular orbital calculatlons. Revista Colombiana de Química; Vol. 12, núm. 1 (1983); 17-24 0120-2804 .An improved two-parameter omega technique (itpot) for molecular orbital calculatlonsArtículo de revistainfo:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501http://purl.org/coar/resource_type/c_2df8fbb1http://purl.org/coar/version/c_970fb48d4fbd8a85Texthttp://purl.org/redcol/resource_type/ARTLongitudesHidrocarburos aromáticosTécnica omega biparamétricaEcuación de CoulsonORIGINAL10607-20545-1-PB.pdfapplication/pdf594372https://repositorio.unal.edu.co/bitstream/unal/24842/1/10607-20545-1-PB.pdf77f93b8a30ee1be66b155338082e9cedMD51THUMBNAIL10607-20545-1-PB.pdf.jpg10607-20545-1-PB.pdf.jpgGenerated Thumbnailimage/jpeg8072https://repositorio.unal.edu.co/bitstream/unal/24842/2/10607-20545-1-PB.pdf.jpgeaec9cf18cdec23146ed10423cf67e4dMD52unal/24842oai:repositorio.unal.edu.co:unal/248422023-10-19 23:04:59.456Repositorio Institucional Universidad Nacional de Colombiarepositorio_nal@unal.edu.co
dc.title.spa.fl_str_mv An improved two-parameter omega technique (itpot) for molecular orbital calculatlons
title An improved two-parameter omega technique (itpot) for molecular orbital calculatlons
spellingShingle An improved two-parameter omega technique (itpot) for molecular orbital calculatlons
Longitudes
Hidrocarburos aromáticos
Técnica omega biparamétrica
Ecuación de Coulson
title_short An improved two-parameter omega technique (itpot) for molecular orbital calculatlons
title_full An improved two-parameter omega technique (itpot) for molecular orbital calculatlons
title_fullStr An improved two-parameter omega technique (itpot) for molecular orbital calculatlons
title_full_unstemmed An improved two-parameter omega technique (itpot) for molecular orbital calculatlons
title_sort An improved two-parameter omega technique (itpot) for molecular orbital calculatlons
dc.creator.fl_str_mv Barbiric, Dora J.
Castro, Eduardo A.
Fernández, Francisco M.
dc.contributor.author.spa.fl_str_mv Barbiric, Dora J.
Castro, Eduardo A.
Fernández, Francisco M.
dc.subject.proposal.spa.fl_str_mv Longitudes
Hidrocarburos aromáticos
Técnica omega biparamétrica
Ecuación de Coulson
topic Longitudes
Hidrocarburos aromáticos
Técnica omega biparamétrica
Ecuación de Coulson
description Bond lengths are calculated for tweive aromatic hydrocarbons by way of the ITPOT and a modified Coulson's equatlon. Comparlsons are made with respect to other theoretlcal results as well as with avallable experimental data. The predlctive capabiilties of the ITPOT and the modified Coulson's equatlon are pointed out.
publishDate 1983
dc.date.issued.spa.fl_str_mv 1983
dc.date.accessioned.spa.fl_str_mv 2019-06-25T22:44:27Z
dc.date.available.spa.fl_str_mv 2019-06-25T22:44:27Z
dc.type.spa.fl_str_mv Artículo de revista
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dc.type.coarversion.spa.fl_str_mv http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.content.spa.fl_str_mv Text
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format http://purl.org/coar/resource_type/c_6501
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dc.identifier.uri.none.fl_str_mv https://repositorio.unal.edu.co/handle/unal/24842
dc.identifier.eprints.spa.fl_str_mv http://bdigital.unal.edu.co/15879/
url https://repositorio.unal.edu.co/handle/unal/24842
http://bdigital.unal.edu.co/15879/
dc.language.iso.spa.fl_str_mv spa
language spa
dc.relation.spa.fl_str_mv http://revistas.unal.edu.co/index.php/rcolquim/article/view/10607
dc.relation.ispartof.spa.fl_str_mv Universidad Nacional de Colombia Revistas electrónicas UN Revista Colombiana de Química
Revista Colombiana de Química
dc.relation.ispartofseries.none.fl_str_mv Revista Colombiana de Química; Vol. 12, núm. 1 (1983); 17-24 0120-2804
dc.relation.references.spa.fl_str_mv Barbiric, Dora J. and Castro, Eduardo A. and Fernández, Francisco M. (1983) An improved two-parameter omega technique (itpot) for molecular orbital calculatlons. Revista Colombiana de Química; Vol. 12, núm. 1 (1983); 17-24 0120-2804 .
dc.rights.spa.fl_str_mv Derechos reservados - Universidad Nacional de Colombia
dc.rights.coar.fl_str_mv http://purl.org/coar/access_right/c_abf2
dc.rights.license.spa.fl_str_mv Atribución-NoComercial 4.0 Internacional
dc.rights.uri.spa.fl_str_mv http://creativecommons.org/licenses/by-nc/4.0/
dc.rights.accessrights.spa.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv Atribución-NoComercial 4.0 Internacional
Derechos reservados - Universidad Nacional de Colombia
http://creativecommons.org/licenses/by-nc/4.0/
http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
dc.format.mimetype.spa.fl_str_mv application/pdf
dc.publisher.spa.fl_str_mv Universidad Nacional de Colombia
institution Universidad Nacional de Colombia
bitstream.url.fl_str_mv https://repositorio.unal.edu.co/bitstream/unal/24842/1/10607-20545-1-PB.pdf
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