Chilkuri, V. G.; DeBeer, S.; Neese, F. Revisiting the Electronic Structure of FeS Monomers Using Ab Initio Ligand Field Theory and the Angular Overlap Model. Inorganic Chemistry2017, 56, 10418–10436.
Shalini Yadav, a postdoctoral researcher at the Max-Planck-Institut für Kohlenforschung, has received the Alexander von Humboldt Fellowship to advance her computational chemistry research on enzymes.