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Impact of Adsorption of Straight Chain Alcohol Molecules on the Optical Properties of Calcite (10.4) Surface

Calcium carbonate plays a central role in controlling the chemistry of the oceans, biomineralization and oil production, to name a few. In this work, using density functional theory with semiempirical dispersion corrections and simplified TD-DFT using Tamm–Dancoff approximation, we investigated the...

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Detalles Bibliográficos
Autor principal:	Mokkath, Junais Habeeb
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9099925/ https://www.ncbi.nlm.nih.gov/pubmed/35564169 http://dx.doi.org/10.3390/nano12091460

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