Ab Initio Electronic Structure Calculation of [4Fe-3S] Cluster of Hydrogenase as Dihydrogen Dissociation/Production Catalyst

Hydrogenases catalyze both the dissociation and production of dihydrogen (H2). Most hydrogenases are inactivated rapidly and reactivated slowly (in vitro), in the presence of dioxygen (O2) and H2, respectively. However, membranebound [NiFe] hydrogenases (MBHs) sustain their activity even together wi...

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Veröffentlicht in:	Journal of the Physical Society of Japan 2018-03, Vol.87 (3), p.34804
Hauptverfasser:	Kim, Jaehyun, Kang, Jiyoung, Nishigami, Hiroshi, Kino, Hiori, Tateno, Masaru
Format:	Artikel
Sprache:	eng
Schlagworte:	Catalysis Catalysts Clusters Electron transfer Electronic structure Hydrogenase Hydrogenases Hydroxyl ions Intermetallic compounds Iron compounds Mathematical analysis Molecular orbitals Nickel compounds
Online-Zugang:	Volltext
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