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Density Functional Theory Investigation of the Active Site of [Fe]-Hydrogenases: Effects of Redox State and Ligand Characteristics on Structural, Electronic, and Reactivity Properties of Complexes Related to the [2Fe] H Subcluster

✍ Scribed by Bruschi, Maurizio; Fantucci, Piercarlo; De Gioia, Luca

No coin nor oath required. For personal study only.

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