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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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| 主要な著者: | , , , , |
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| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
Slovenian Chemical Society
2019-09-01
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| シリーズ: | Acta Chimica Slovenica |
| 主題: | |
| オンライン･アクセス: | https://journals.matheo.si/index.php/ACSi/article/view/5044 |
| タグ: |
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