Квантовохімічне дослідження взаємодії ортосилікатної кислоти з лугами у водному середовищі
A quantum chemical analysis has been carried out of the equilibrium structure and energy parameters of hydrated Li+, Na+, and K+ cations interacting with ionized silica surface by means of density functional theory method with extended basis set 6-31++G(d,p) and exchange-correlation functional B3LYP...
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| Date: | 2013 |
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| Main Authors: | , , , , |
| Format: | Article |
| Language: | Ukrainian |
| Published: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2013
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| Online Access: | https://surfacezbir.com.ua/index.php/surface/article/view/505 |
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| Journal Title: | Surface |
| Download file: |  |