Revisiting the Electronic Structure of FeS Monomers Using ab Initio Ligand Field Theory and the Angular Overlap Model.
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DOI: 10.1021/acs.inorgchem.7b01371
Abstract: Iron-sulfur (FeS) proteins are universally found in nature with actives sites ranging in complexity from simple monomers to multinuclear sites from two up to eight iron atoms. These sites include mononuclear (rubredoxins), dinuclear (ferredoxins and… read more here.
Keywords: using initio; initio ligand; electronic structure; model ... See more keywords