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Unraveling the Effects of Co-Crystallization on the UV/Vis Absorption Spectra of an N-Salicylideneaniline Derivative. A Computational RI-CC2 Investigation

This work aims at unraveling the effects of co-crystallization on the optical properties of an N-salicylideneaniline-derived molecular switch transforming between an enol and a keto form. This is achieved by way of a two-step multi-scale method where (i) the molecular geometry and unit cell paramete...

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Detalles Bibliográficos
Autores principales:	Quertinmont, Jean, Leyssens, Tom, Wouters, Johan, Champagne, Benoît
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7582674/ https://www.ncbi.nlm.nih.gov/pubmed/33019738 http://dx.doi.org/10.3390/molecules25194512

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