Theoretical study on the interaction of polychlorotrifluoroethylene fragments with graphene-like planes
The interaction of graphene with fragments of polychlorotrifluoroethylene (PCTFE) has been studied by quantum chemistry methods. Within the frameworks of the density functional theory with B3LYP exchange-correlation functional, 6-31G(d,p) basis set and the Grimme dispersion correction, and the seco...
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| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Chuiko Institute of Surface Chemistry of NAS of Ukraine
2023-11-01
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| Series: | Хімія, фізика та технологія поверхні |
| Subjects: | |
| Online Access: | https://cpts.com.ua/index.php/cpts/article/view/701 |
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