title: Density functional study of valence trapping in a mixed-valent dimanganese complex.
authors.affiliation: Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Mülheim an der Ruhr, Germany. buehl@mpi-muelheim.mpg.de
authors.forename: Michael
authors.initials: M
authors.lastname: Bühl
authors.forename: Walter
authors.initials: W
authors.lastname: Thiel
mesh_terms: D003198:Computer Simulation; D004583:Electrons; D008345:Manganese / Q000737:chemistry*; D008956:Models, Chemical; D008968:Molecular Conformation; D009942:Organometallic Compounds / Q000737:chemistry*
chemical_list: D009942:Organometallic Compounds; D008345:Manganese