Квантово-хімічне моделювання центрів адсорбції ортофосфорної кислоти на гідратованій поверхні анатазу
Quantum chemical modeling of orthophosphoric acid adsorption sites on the hydrated surface of anatase was performed by the method of density functional theory (exchange-correlation functional PBE0, basis set 6-31 G(d,p)). The influence of the aqueous medium was taken into account within the framewor...
Saved in:
| Date: | 2020 |
|---|---|
| Main Authors: | , , |
| Format: | Article |
| Language: | Ukrainian |
| Published: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2020
|
| Subjects: | |
| Online Access: | https://surfacezbir.com.ua/index.php/surface/article/view/699 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Journal Title: | Surface |
| Download file: |  |