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Computational Investigation of [FeFe]-Hydrogenase Models: Characterization of Singly and Doubly Protonated Intermediates and Mechanistic Insights
[Image: see text] The [FeFe]-hydrogenase enzymes catalyze hydrogen oxidation and production efficiently with binuclear Fe metal centers. Recently the bioinspired H(2)-producing model system Fe(2)(adt)(CO)(2)(dppv)(2) (adt=azadithiolate and dppv=diphosphine) was synthesized and studied experimentally...
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| Main Authors: | , , , |
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| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
American Chemical Society
2014
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| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4186672/ https://ncbi.nlm.nih.gov/pubmed/25207842 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ic5013523 |
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