title: A capable bridging ligand for Fe-only hydrogenase: density functional calculations of a low-energy route for heterolytic cleavage and formation of dihydrogen.
authors.affiliation: Department of Chemistry, Texas A&M University TAMU 3255, College Station, Texas 77843-3255, USA.
authors.forename: H J
authors.initials: HJ
authors.lastname: Fan
authors.forename: M B
authors.initials: MB
authors.lastname: Hall
mesh_terms: D002384:Catalysis; D003013:Clostridium; D016969:Desulfovibrio vulgaris; D006864:Hydrogenase / Q000737:chemistry*; D007501:Iron / Q000737:chemistry*; D008024:Ligands; D008667:Metalloproteins / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D013816:Thermodynamics
chemical_list: D008024:Ligands; D008667:Metalloproteins; D007501:Iron; D006864:Hydrogenase