Theoretical Evaluation of the Properties of Nitrogen-Doped C<sub>24</sub> Fullerenes and Their Interactions with Two Adamantane-Derived Antivirals

Theoretical Evaluation of the Properties of Nitrogen-Doped C<sub>24</sub> Fullerenes and Their Interactions with Two Adamantane-Derived Antivirals

The replacement of carbon with a heteroatom within the structure of a fullerene gives the possibility of obtaining compounds with adjustable properties. The influence of aza-substitution on C<sub>24</sub> fullerenes was investigated and a comparison of HF and DFT calculations was perform...

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Bibliographic Details
Main Authors:	Oana-Raluca Pop, Adina Căta, Ioana Maria Carmen Ienașcu
Format:	Article
Language:	English
Published:	MDPI AG 2023-11-01
Series:	Chemistry
Subjects:	fullerenes C<sub>24</sub> molecular docking
Online Access:	https://www.mdpi.com/2624-8549/5/4/157

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