Computational investigation of [FeFe]-hydrogenase models: Characterization of singly and doubly protonated intermediates and mechanistic insights

181. M. T. Huynh, W. Wang, T. B. Rauchfuss, and S. Hammes-Schiffer, “Computational investigation of [FeFe]-hydrogenase models: Characterization of singly and doubly protonated intermediates and mechanistic insights,” Inorg. Chem. 53, 10301-10311 (2014).