A density functional theory study on favipiravir drug interaction with BN-doped C60 heterofullerene

A density functional theory study on favipiravir drug interaction with BN-doped C60 heterofullerene

Muz, İskender; Göktaş, Fahrettin; Kurban, Mustafa
URI: https://doi.org/10.1016/j.physe.2021.114950
http://hdl.handle.net/20.500.11787/7274
Date: 2022-01

Abstract:

We have performed to study the possibility of a stable interaction between favipiravir drug molecule and BN- doped C60 (CBN) heterofullerene. The structural, electronic, reactivity and optical properties for the mentioned interactions are examined in detail. Adsorption energies between favipiravir drug and CBN hetero- fullerene are calculated in the range of

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