Теоретичний аналіз адсорбції різних сполук на гідрофільних та гідрофобних кремнеземах у порівнянні з активованим вугіллям
The aim of this study was to analyze various theoretical models (clusters, systems with periodic boundary conditions) and methods, which could be applied to investigate the adsorption phenomena and for better interpretation of the experimental data. The density functional theory (DFT) and semiempiri...
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| Date: | 2019 |
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| Main Author: | |
| Format: | Article |
| Language: | English |
| Published: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2019
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| Subjects: | |
| Online Access: | https://www.cpts.com.ua/index.php/cpts/article/view/519 |
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| Journal Title: | Chemistry, Physics and Technology of Surface |