Antiferromagnetically coupled [Fe8S9] cluster catalyzed acetylene reduction in a nitrogenase-like enzyme DCCPCh: Insights from QM/MM calculations
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DOI: 10.1016/j.jcat.2021.04.009
Abstract: Abstract QM/MM calculations have been used to elucidate the reaction mechanism of the reduction of acetylene to ethylene catalyzed by a nitrogenase-like enzyme DCCPCh with an unusual [Fe8S9] double-cubane cluster. Various plausible reaction pathways, involving… read more here.
Keywords: like enzyme; enzyme dccpch; cluster; nitrogenase like ... See more keywords