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Relevance of silica surface morphology in Ampyra adsorption. Insights from quantum chemical calculations

Theoretical calculations are performed using the Vienna Ab-initio simulation package (VASP) to understand the mechanisms that control the adsorption of Ampyra drug on the different crystallographic planes of β-cristobalite: the hydroxylated (111) and (100) surfaces. The Ampyra-silica interaction is...

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Detalles Bibliográficos
Autores principales:	Grau, E. Noseda, Román, G., Compañy, A. Díaz, Brizuela, G., Juan, A., Simonetti, S.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9060630/ https://www.ncbi.nlm.nih.gov/pubmed/35520196 http://dx.doi.org/10.1039/c8ra08792j

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