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DFT/TDDFT Investigation on the Electronic Structure and Spectroscopic Properties of Cis-Dioxomolybdenum (VI) Complexes
In this contribution, two mononuclear molybdenum complexes with H2L tridentate (ONO) Schiff base ligand are characterized using computational techniques. Density functional theory (DFT) and its time extension (TD-DFT) calculations are performed to study the electronic structure in ground and excited...
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| Main Authors: | , , , , |
|---|---|
| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
Slovenian Chemical Society
2019-09-01
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| 叢編: | Acta Chimica Slovenica |
| 主題: | |
| 在線閱讀: | https://journals.matheo.si/index.php/ACSi/article/view/5044 |
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