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Computational Study of the Structure of a Sepiolite/Thioindigo Mayan Pigment

The interaction of thioindigo and the phyllosilicate clay sepiolite is investigated using density functional theory (DFT) and molecular orbital theory (MO). The best fit to experimental UV/Vis spectra occurs when a single thioindigo molecule attaches via Van der Waals forces to a tetrahedrally coord...

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Detalles Bibliográficos
Autores principales:	Alvarado, Manuel, Chianelli, Russell C., Arrowood, Roy M.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Hindawi Publishing Corporation 2012
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3501801/ https://www.ncbi.nlm.nih.gov/pubmed/23193386 http://dx.doi.org/10.1155/2012/672562

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