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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Detalhes bibliográficos
Publicado no:Heliyon
Main Authors: Ejuh, G.W., Fonkem, C., Tadjouteu Assatse, Y., Yossa Kamsi, R.A., Nya, Tchangnwa, Ndukum, L.P., Ndjaka, J.M.B.
Formato: Artigo
Idioma:Inglês
Publicado em: Elsevier 2020
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Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7417266/
https://ncbi.nlm.nih.gov/pubmed/32802983
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.heliyon.2020.e04647
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