Квантовохімічне моделювання цирконільних комплексів: метансульфонату, карбонату, хлориду та сульфату
The work carried out quantum chemical modeling of zirconium complexes with various ligands (methanesulfonate, chloride, carbonate and sulfate) in an aqueous medium using DFT/B3LYP methods and QTAIM theory. The aim of the study was to determine the influence of the nature of the ligands on the struct...
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| Published in: | Хімія, фізика та технологія поверхні |
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| Date: | 2026 |
| Author Affiliations: | |
| Main Authors: | , |
| Format: | Article |
| Published: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2026
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| Subjects: | |
| Online Access: | https://www.cpts.com.ua/index.php/cpts/article/view/895 |
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| Journal Title: | Chemistry, Physics and Technology of Surface |