Royal Society of Chemistry, Chemical Science, 6(12), p. 2189-2197, 2021
DOI: 10.1039/d0sc05022a
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Active site vibrations of a [NiFe]-hydrogenase catalytic subunit are selectively probed by IR and NRV spectroscopy in two NiIIFeII and NiIIIFeII resting states, contributing in combination with DFT modeling to rationalized structural candidates.