First-Principles Calculations on Ni,Fe-Containing Carbon Monoxide Dehydrogenases Reveal Key Stereoelectronic Features for Binding and Release of CO2 to/from the C-Cluster

In view of the depletion of fossil fuel reserves and climatic effects of greenhouse gas emissions, Ni,Fe-containing carbon monoxide dehydrogenase (Ni-CODH) enzymes have attracted increasing interest in recent years for their capability to selectively catalyze the reversible reduction of CO 2 to CO (...

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Veröffentlicht in:	Inorganic chemistry 2021-01, Vol.60 (1), p.387-402
Hauptverfasser:	Breglia, Raffaella, Arrigoni, Federica, Sensi, Matteo, Greco, Claudio, Fantucci, Piercarlo, De Gioia, Luca, Bruschi, Maurizio
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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