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Interplay of hemilability and redox activity in models of hydrogenase active sites
The hydrogen evolution reaction, as catalyzed by two electrocatalysts [M(N(2)S(2))·Fe(NO)(2)](+), [Fe-Fe](+) (M = Fe(NO)) and [Ni-Fe](+) (M = Ni) was investigated by computational chemistry. As nominal models of hydrogenase active sites, these bimetallics feature two kinds of actor ligands: Hemilabi...
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| Publicat a: | Proc Natl Acad Sci U S A |
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| Autors principals: | , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
National Academy of Sciences
2017
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5699057/ https://ncbi.nlm.nih.gov/pubmed/29087322 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1710475114 |
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