title: Towards an understanding of the workings of nitrogenase from DFT calculations.
authors: Institute for Theoretical Physics, Clausthal University of Technology, Leibnizstr. 10, 38678 Clausthal-Zellerfeld, Germany.
authors: Johannes
authors: J
authors: Kästner
authors: Peter E
authors: PE
authors: Blöchl
mesh_terms: D003198:Computer Simulation; D008956:Models, Chemical; D009591:Nitrogenase / Q000737:chemistry*
chemical_list: D009591:Nitrogenase