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Density functional study of the catalytic cycle of nickel–iron [NiFe] hydrogenases and the involvement of high-spin nickel(II)

Inorganic ChemistryDensity Functional StudyEngineeringBiochemistryReactive Nitrogen SpecieNatural SciencesCatalysisHydrogenChemistryCatalytic ProcessCatalytic CycleHigh-spin Nickel