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DFT calculations towards the geometry optimization, electronic structure, infrared spectroscopy and UV–vis analyses of Favipiravir adsorption on the first-row transition metals doped fullerenes; a new strategy for COVID-19 therapy

With the global epidemic of the COVID-19 virus, extensive and rapid research on drug therapy is underway around the world. In this regard, one of the most widely studied drugs is Favipiravir. Our aim in this paper is to conduct comprehensive research based on the Density Functional Theory (DFT) on t...

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Detalles Bibliográficos
Autores principales: Rad, Ali Shokuhi, Ardjmand, Mehdi, Esfahani, Milad Rabbani, Khodashenas, Bahareh
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7568174/
https://www.ncbi.nlm.nih.gov/pubmed/33120121
http://dx.doi.org/10.1016/j.saa.2020.119082