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Theoretical study of chemical reactivity descriptors of some repurposed drugs for COVID-19

This study focuses on computational studies of chemical reactivity descriptors of some proposed drugs for COVID-19. Density functional theory calculations were used to optimize the structure and investigate the frontier orbitals and the chemical reactivity descriptors of these drugs. The frontier or...

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Detalles Bibliográficos
Autores principales:	Morad, Razieh, Akbari, Mahmood, Maaza, Malik
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2023
Materias:	Original Paper
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10231853/ https://www.ncbi.nlm.nih.gov/pubmed/37362909 http://dx.doi.org/10.1557/s43580-023-00590-6

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