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...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-11-01
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| Series: | Chemistry |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2624-8549/5/4/157 |