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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2019
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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 |