Inorganic Chemistry Frontiers · 2021 · 10 citations · 48 references
Natural SciencesBiochemistryChemistrySpectroscopyStructural BiochemistryStructural BiologyCofactor ChemistryElectronic StructureHyperfine StructureMacromolecular StructureRedox CofactorsStructural ElucidationCofactor OrganizationFlavin CofactorsFlavin Redox ChemistryIron-sulfur ChemistryIron-sulfur Cluster ChemistryIron-sulfur Cluster EnzymesIron-sulfur Cluster Redox ChemistryMetal-sulfur Clusters
The electronic structures of two cofactors, the FAD radical and [2Fe–2S]<sup>+</sup> of reduced MMOR from <italic>Methylosinus sporium</italic> strain 5 were investigated by advanced EPR spectroscopy. The findings provide long overdue detailed structural information of MMOR.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
Frank Neese · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 13.1K citations
Natural Sciences, Chemistry, Physics +17