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Calculation of low bandgap homopolymers: Comparison of TD-DFT methods with experimental oligomer series

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dc.contributor.affiliation"UNESP - Univ Estadual Paulista, POSMAT - Graduate Program in Material Science and Technology, Av. Eng. Luiz Edmundo Carrijo Coube 14-01, Bauru, SP 17033-360, Brazil"," Department for Physical Chemistry, Faculty of Chemistry, University of Valencia, Avda. Dr. Moliner 50, Burjassot, Valencia, 46100, Spain"," Institute for Advanced Studies, IMDEA Nanoscience, Campus Cantoblanco, C/Faraday 9, Madrid, 28049, Spain"," DF-FC, UNESP - Univ Estadual Paulista, Av. Eng. Luiz Edmundo Carrijo Coube 14-01, Bauru, SP 17033-360, Brazil"en
dc.contributor.affiliation000000041762408X
dc.contributor.authorOliveira E.F.
dc.contributor.authorRoldao J.C.
dc.contributor.authorMilián-Medina B.
dc.contributor.authorLavarda F.C.
dc.contributor.authorGierschner, Johannes
dc.date.accessioned2020-12-15T12:46:43Z
dc.date.available2020-12-15T12:46:43Z
dc.date.issued2016
dc.identifier.doi10.1016/j.cplett.2015.12.059en
dc.identifier.urihttp://hdl.handle.net/20.500.12614/2438
dc.journal.titleChemical Physics Lettersen
dc.language.isoenen
dc.page.initial169en
dc.relation.projectIDTEMP"We would like to thank the Brazilian agencies FAPESP (proc. 2012/21983-0 and 2014/20410-1) and CAPES for financial support. This research was also supported by resources supplied by the Center for Scientific Computing (NCC/GridUNESP) of the São Paulo State University (UNESP). The work at IMDEA and University of Valencia was supported by the Spanish Ministerio de Economía y Competitividad (MINECO"," coordinated project MultiCrom, grant no. CTQ2014-58801 ), and by the Campus of International Excellence (CEI) UAM + CSIC."
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 España*
dc.rights.accessRightsopen accessen
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/*
dc.titleCalculation of low bandgap homopolymers: Comparison of TD-DFT methods with experimental oligomer seriesen
dc.typeresearch articleen
dc.volume.number645en
dspace.entity.typePublication

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