Dinitrogen is inherently inert. This report describes detailed density functional calculations (with a 485+ atom model) of mechanistic steps by which the enzyme nitrogenase activates unreactive N2 at the intact...
Dinitrogen is inherently inert. This report describes detailed density functional calculations (with a 485+ atom model) of mechanistic steps by which the enzyme nitrogenase activates unreactive N2 at the intact...
Mo-nitrogenase hydrogenates N2 to NH3. This report continues from the previous paper [Dalton Transactions 53, 14193 (2024)] that described how the active site FeMo-co of the enzyme is uniquely able...
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