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
Ali Shokuhi Rad, Mehdi Ardjmand, Milad Rabbani Esfahani, Bahareh Khodashenas
2020Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy114 citationsDOIOpen Access PDF
Topics & Concepts
MetallofullereneFullereneDensity functional theoryInfrared spectroscopyFavipiravirAdsorptionComputational chemistryMaterials sciencePhysical chemistryEndohedral fullereneChemistryInorganic chemistryOrganic chemistryCoronavirus disease 2019 (COVID-19)Infectious disease (medical specialty)MedicineDiseasePathologyFullerene Chemistry and ApplicationsBoron and Carbon Nanomaterials ResearchGraphene and Nanomaterials Applications