Browsing by Subject "qm/mm"
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Electronic Structure Studies of Iron-Sulfur Clusters: from Model Compounds to the Active Site of Nitrogenase
Spiller, Nico (2022-08-23)Iron-sulfur (FeS) clusters are omnipresent in nature, where they are involved in a variety of tasks, such as electron transfer, DNA repair, Fe storage, and substrate activation. The enzyme nitrogenase contains one of the ...



