Квантово-хімічне дослідження протолітичної рівноваги амоніаку на поверхні кремнезему
Quantum chemical calculations on equilibrium spatial structure and formation energies of hydrated complexes of ammonia molecule on silica surface have been carried out by means of density functional theory method. The mechanism has been examined of ammonia molecule protonation and the most probable...
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| Datum: | 2010 |
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| Hauptverfasser: | , , |
| Format: | Artikel |
| Sprache: | Ukrainisch |
| Veröffentlicht: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2010
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| Online Zugang: | https://www.cpts.com.ua/index.php/cpts/article/view/20 |
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| Назва журналу: | Chemistry, Physics and Technology of Surface |
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Chemistry, Physics and Technology of Surface| Zusammenfassung: | Quantum chemical calculations on equilibrium spatial structure and formation energies of hydrated complexes of ammonia molecule on silica surface have been carried out by means of density functional theory method. The mechanism has been examined of ammonia molecule protonation and the most probable routes have been shown of adsorption of associative hydrated complexes on high disperse silica surface. |
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