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Converged Structural and Spectroscopic Properties for Refined QM/MM Models of Azurin
[Image: see text] Blue copper proteins continue to challenge experiment and theory with their electronic structure and spectroscopic properties that respond sensitively to the coordination environment of the copper ion. In this work, we report state-of-the art electronic structure studies for geomet...
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| 出版年: | Inorg Chem |
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| 主要な著者: | , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
American Chemical Society
2021
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| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8154437/ https://ncbi.nlm.nih.gov/pubmed/33939922 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.inorgchem.1c00640 |
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