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DFT and TD-DFT calculation of new thienopyrazine-based small molecules for organic solar cells

BACKGROUND: Novel six organic donor-π-acceptor molecules (D-π-A) used for Bulk Heterojunction organic solar cells (BHJ), based on thienopyrazine were studied by density functional theory (DFT) and time-dependent DFT (TD-DFT) approaches, to shed light on how the π-conjugation order influence the perf...

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Detalles Bibliográficos
Autores principales:	Bourass, Mohamed, Benjelloun, Adil Touimi, Benzakour, Mohammed, Mcharfi, Mohammed, Hamidi, Mohammed, Bouzzine, Si Mohamed, Bouachrine, Mohammed
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2016
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5084391/ https://www.ncbi.nlm.nih.gov/pubmed/27843488 http://dx.doi.org/10.1186/s13065-016-0216-6

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