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Absorption and Fluorescence Spectra of Poly(p-phenylenevinylene) (PPV) Oligomers: An ab Initio Simulation

[Image: see text] The absorption and fluorescence spectra of poly(p-phenylenevinylene) (PPV) oligomers with up to seven repeat units were theoretically investigated using the algebraic diagrammatic construction method to second order, ADC(2), combined with the resolution-of-the-identity (RI) approac...

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Detalhes bibliográficos
Publicado no:J Phys Chem A
Main Authors: Cardozo, Thiago M., Aquino, Adélia J. A., Barbatti, Mario, Borges, Itamar, Lischka, Hans
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2014
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4353058/
https://ncbi.nlm.nih.gov/pubmed/25415930
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp508512s
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