Квантовохімічне моделювання міжмолекулярної взаємодії фулереноподібних молекул діоксиду силіцію (SiO2)n(H2O)n/2
The results has been presented of quantum-chemical calculations (DFT, B3LYP, 3‑21G) of the spatial structure and formation energy of dimers of fullerene-like spherical silicon dioxide molecules (SiO2)20(H2O)10. It has been shown that the most stable is complex with 10 hydrogen bonds between the sila...
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| Date: | 2014 |
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| Main Authors: | , , |
| Format: | Article |
| Language: | Ukrainian |
| Published: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2014
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| Online Access: | https://surfacezbir.com.ua/index.php/surface/article/view/532 |
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| Journal Title: | Surface |
| Download file: |  |