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DFT Study Adsorption of Hydroxychloroquine for Treatment COVID-19 by SiC Nanotube and Al, Si Doping on Carbon Nanotube Surface: A Drug Delivery Simulation

This study aims to investigate the capability of aluminum-doped nanotubes, silicon-doped nanotubes, and silicon carbide nanotubes to adsorb Hydroxychloroquine (C(18)H(26)C(l)N(3)O) molecular using DFT theory at 6-31G** basis set and M062x level of theory. The calculated results indicate that the dis...

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Detalles Bibliográficos
Autores principales:	Al-Sawaff, Zaid H., Dalgic, Serap Senturk, Kandemirli, Fatma, Monajjemi, Majid, Mollaamin, Fatemeh
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Pleiades Publishing 2022
Materias:	Physical Chemistry of Nanoclusters and Nanomaterials
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9801348/ http://dx.doi.org/10.1134/S003602442213026X

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