Successes, challenges, and opportunities for quantum chemistry in understanding metalloenzymes for solar fuels research

Quantum chemical approaches today are a powerful tool to study the properties and reactivity of metalloenzymes. In the field of solar fuels research these involve predominantly photosystem II and hydrogenases, which catalyze water oxidation and hydrogen evolution, as well as related biomimetic and b...

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Veröffentlicht in:	Chemical communications (Cambridge, England) England), 2021-04, Vol.57 (33), p.3952-3974
Hauptverfasser:	Orio, Maylis, Pantazis, Dimitrios A
Format:	Artikel
Sprache:	eng
Schlagworte:	Biomimetics Catalytic activity Chemical Sciences Complex systems Computational chemistry Electronic structure Fuels Hydrogen evolution Hydrogenase Oxidation Quantum chemistry Reaction mechanisms
Online-Zugang:	Volltext
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