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Role of Group 12 Metals in the Reduction of H(2)O(2) by Santi’s Reagent: A Computational Mechanistic Investigation
[Image: see text] PhSeZnCl, which is also known as Santi’s reagent, can catalyze the reduction of hydrogen peroxide by thiols with a GPx-like mechanism. In this work, the first step of this catalytic cycle, i.e., the reduction of H(2)O(2) by PhSeZnCl, is investigated in silico using state-of-the-art...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10598800/ https://www.ncbi.nlm.nih.gov/pubmed/37769326 http://dx.doi.org/10.1021/acs.inorgchem.3c02568 |