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Decoding the ECD Spectra of Poly(phenylacetylene)s: Structural Significance

[Image: see text] The role of the main dihedral angles in the electronic circular dichroism (ECD) spectra of poly(phenylacetylene)s (PPAs) was estimated by using time-dependent density functional theory (TD-DFT) for oligo(phenylacetylene)s (n = 12). These studies reveal that in cis–transoidal arrang...

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Detalles Bibliográficos
Autores principales:	Fernández, Berta, Rodríguez, Rafael, Quiñoá, Emilio, Riguera, Ricardo, Freire, Félix
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2019
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648364/ https://www.ncbi.nlm.nih.gov/pubmed/31459695 http://dx.doi.org/10.1021/acsomega.9b00122

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