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Electronic structure of polyacetylene with bonded oxygen

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dc.contributor.authorLavarda, Francisco Carlos [UNESP]
dc.contributor.authorGalvão, Douglas S.
dc.contributor.authorLaks, Bernardo
dc.contributor.institutionUniversidade Estadual de Campinas (UNICAMP)
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2014-05-27T11:17:28Z
dc.date.available2014-05-27T11:17:28Z
dc.date.issued1992-09-01
dc.description.abstractIn this work we have studied the electronic structure of finite polyacetylene chains with structural oxygen-bonding models following data from 13C-NMR experiments. We have used a combination of Austin Method One and Hydrogenic Atoms in Molecules version 3 methods to perform geometric and spectroscopic calculations. Our results show that the electronically-active states are generally unaffected by the incorporation of oxygen. © 1992.en
dc.description.affiliationInstituto de Física UNICAMP, 13081 Campinas, SP
dc.description.affiliationDepartamento de Física UNESP-Bauru, 17033 Bauru, SP
dc.description.affiliationUnespDepartamento de Física UNESP-Bauru, 17033 Bauru, SP
dc.format.extent175-178
dc.identifierhttp://dx.doi.org/10.1016/0379-6779(92)90268-N
dc.identifier.citationSynthetic Metals, v. 51, n. 1-3, p. 175-178, 1992.
dc.identifier.doi10.1016/0379-6779(92)90268-N
dc.identifier.issn0379-6779
dc.identifier.lattes9457018963105073
dc.identifier.scopus2-s2.0-0026912144
dc.identifier.urihttp://hdl.handle.net/11449/64261
dc.language.isoeng
dc.relation.ispartofSynthetic Metals
dc.relation.ispartofjcr2.526
dc.relation.ispartofsjr0,672
dc.rights.accessRightsAcesso restrito
dc.sourceScopus
dc.subjectElectronic properties
dc.subjectMathematical models
dc.subjectMolecular structure
dc.subjectOxygen
dc.subjectPhysical chemistry
dc.subjectSolid state physics
dc.subjectCharge transfer mechanism
dc.subjectElectronic structure
dc.subjectOxygen bonding
dc.subjectPolyacetylene chains
dc.subjectPolyacetylenes
dc.titleElectronic structure of polyacetylene with bonded oxygenen
dc.typeArtigo
dcterms.licensehttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dspace.entity.typePublication
unesp.author.lattes9457018963105073
unesp.campusUniversidade Estadual Paulista (Unesp), Faculdade de Ciências, Baurupt
unesp.departmentFísica - FCpt

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Bauru - FC - Faculdade de Ciências