Квантовохімічне дослідження впливу наявності графеноподібного кластера на енергію ковалентних зв’язків фрагмента поліаміду в нанокомпозиті
The energy values have been calculated by the density functional theory with the exchange-correlation functional B3LYP, the basic set 6-31G(d,p) and Grimme dispersion corrections of covalent bonds in a free molecule of dioligomer ε−aminocaproic acid (ACA) and when it is part of an intermolecular com...
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| Date: | 2019 |
|---|---|
| Main Authors: | , , , , , |
| Format: | Article |
| Language: | Ukrainian |
| Published: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2019
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| Subjects: | |
| Online Access: | https://surfacezbir.com.ua/index.php/surface/article/view/687 |
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| Journal Title: | Surface |
| Download file: |  |