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Study of the structural, chemical descriptors and optoelectronic properties of the drugs Hydroxychloroquine and Azithromycin

Density functional theory (DFT) was performed in order to predict the structural, chemical descriptors and optoelectronic properties of the drugs Hydroxychloroquine and Azithromycin using the wB97XD, O3LYP and B3LYP functional with 6-31+G(d,p) basis set. It is observed from our studies that most of...

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Detalles Bibliográficos
Autores principales: Ejuh, G.W., Fonkem, C., Tadjouteu Assatse, Y., Yossa Kamsi, R.A., Nya, Tchangnwa, Ndukum, L.P., Ndjaka, J.M.B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7417266/
https://www.ncbi.nlm.nih.gov/pubmed/32802983
http://dx.doi.org/10.1016/j.heliyon.2020.e04647