Theoretical Study of the Interaction Between Favipiravir and Fluorinated Boron Nitride Fullerene

The effect of fluorination of boron nitride fullerene B 12 N 12 on its activity towards the favipiravir molecule (a drug against the COVID-19 virus) is studied by the density functional theory. Two types of fullerene fluorination are considered: external doping with the formation of the B 12 N 12 F...

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Veröffentlicht in:	Journal of structural chemistry 2024-12, Vol.65 (12), p.2489-2498
Hauptverfasser:	Zubkov, L. S., Kalika, E. B., Grishakov, K. S., Maslov, M. M., Katin, K. P.
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic Atomic/Molecular Structure and Spectra Boron nitride Chemistry Chemistry and Materials Science Density functional theory Doping Fluorination Fluorine Fullerenes Inorganic Chemistry Molecular Optical and Plasma Physics Physical Chemistry Solid State Physics
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