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Tuning of dye optical properties by environmental effects: a QM/MM and experimental study

The present work is aimed at a deeper investigation of two recently synthesized heteroaromatic fluorophores by means of a computational multilayer approach, integrating quantum mechanics (QM) and molecular mechanics (MM). In particular, dispersion of the title dyes in a polymer matrix is studied in...

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Detalles Bibliográficos
Autores principales:	Del Frate, Gianluca, Bellina, Fabio, Mancini, Giordano, Marianetti, Giulia, Minei, Pierpaolo, Pucci, Andrea, Barone, Vincenzo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Royal Society of Chemistry 2016
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5123643/ https://www.ncbi.nlm.nih.gov/pubmed/27001346 http://dx.doi.org/10.1039/c6cp00841k

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