Гідратаційні ефекти та структура адсорбційних комплексів глюкози на поверхні кремнезему
Adsorption complexes of glucose containing solvent molecules on high disperse silica surface have been examined by means of quantum chemical SCF MO LCAO calculations within the frameworks of PM3 valence approximation and ab initio method with use of 3-21G basis set. Water molecules have been shown t...
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| Datum: | 2004 |
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| Hauptverfasser: | , , |
| Format: | Artikel |
| Sprache: | Ukrainisch |
| Veröffentlicht: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2004
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| Online Zugang: | https://surfacezbir.com.ua/index.php/surface/article/view/130 |
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| Назва журналу: | Surface |
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Surface| Zusammenfassung: | Adsorption complexes of glucose containing solvent molecules on high disperse silica surface have been examined by means of quantum chemical SCF MO LCAO calculations within the frameworks of PM3 valence approximation and ab initio method with use of 3-21G basis set. Water molecules have been shown to stabilize these structures most effectively when their hydroxyl groups serve as some bridges to transfer an electron density from silica surface to a glucose molecule. |
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