Квантовохімічне моделювання протолітичної рівноваги поверхні кремнезему
A quantum chemical analysis of silicic acid oligomers structure has been carried out by density functional theory method with use of extended basis set (6-31++G(d,p)). Dissociation constants of hydroxyl groups have been calculated for molecules containing from one to eight silicon-oxygen tetrahedra....
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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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| Subjects: | |
| Online Access: | https://www.cpts.com.ua/index.php/cpts/article/view/257 |
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| Journal Title: | Chemistry, Physics and Technology of Surface |