- Larger iron-sulfur clusters are omnipresent in biological systems, but their electronic structure is not well understood
- Device models of the electronic structure of iron monomers and dimers to explain experimental spectra
- Extend the models from dimers to cubanes and the nitrogenase's FeMo-cofactor
Spiller, N.;Chilkuri, V.G.; DeBeer, S.; Neese, F. Sulfur vs. Selenium as bridging ligand in Di‐iron complexes: a theoretical analysis. Eur. J. Inorg. Chem. 2020, 1525-1538, https://doi.org/10.1002/ejic.202000033.