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Elucidating the adsorption of 2-Mercaptopyridine drug on the aluminum phosphide (Al(12)P(12)) nanocage: A DFT study

Adsorption amplitude of the aluminum phosphide (Al(12)P(12)) nanocage toward the 2-Mercaptopyridine (MCP) drug was herein monitored based on density functional theory (DFT) calculations. The adsorption process through MCP⋅⋅⋅Al(12)P(12) complex in various configurations was elucidated by means of ads...

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Detalles Bibliográficos
Autores principales:	Rady, Al-shimaa S.M., Moussa, Nayra A.M., Mohamed, Lamiaa A., Sidhom, Peter A., Sayed, Shaban R.M., Abd El-Rahman, Mohamed K., Dabbish, Eslam, Shoeib, Tamer, Ibrahim, Mahmoud A.A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2023
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10407676/ https://www.ncbi.nlm.nih.gov/pubmed/37560653 http://dx.doi.org/10.1016/j.heliyon.2023.e18690

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