Binding sites of deprotonated citric acid and ethylenediaminetetraacetic acid in the chelation with Ba2+, Y3+, and Zr4+ and their electronic properties: A density functional theory study
Density functional calculations were performed on the metal complexes formed during the synthesis of barium zirconate (BZY). This compound has been synthesized previously, but the molecular interactions present during the formation of the ligand-metal complexes are unknown. In this study, calculatio...
| 出版年: | Acta Chimica Slovenica |
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| 第一著者: | |
| フォーマット: | 論文 |
| 言語: | English |
| 出版事項: |
Slovensko Kemijsko Drustvo
2018
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| オンライン･アクセス: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85044373032&doi=10.17344%2facsi.2017.3890&partnerID=40&md5=f8df4e183c8afb97c1cb30e992e3f6ae |