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Providing theoretical insight into the role of symmetry in the photoisomerization mechanism of a non-symmetric dithienylethene photoswitch
ArticleAbstract: Dithienylethene (DTE) molecular photoswitches have shown to be excellent candidates in the design ofPalabras claves:Autores:Edison Salazar, Faraji S., Reinink S.Fuentes:scopusTheoretical study of cyclohexadiene/hexatriene photochemical interconversion using spin-Flip time-Dependent density functional theory
ArticleAbstract: The photochemical interconversion between 1,3-cyclohexadiene (CHD) and all-cis-hexatriene (cZc-HT) iPalabras claves:conical intersection, electrocyclic reactions, minimum-energy crossing point, Photochemistry, spin-FlipAutores:Edison Salazar, Faraji S.Fuentes:scopus