Lehrstuhl für Theoretische Chemie

Influence of the surface dipole layer and Pauli repulsion on band energies and doping in graphene adsorbed on metal surfaces (2012) Gebhardt J, Vines F, Görling A Journal article, Original article Observation of the inverse trans influence (ITI) in a uranium(V) imide coordination complex: An experimental study and theoretical evaluation (2012) Lam OP, Franke S, Nakai H, Heinemann FW, Hieringer W, Meyer K Journal article, Original article On the interaction of polycyclic aromatic compounds with graphene (2012) Kozlov SM, Vines F, Görling A Journal article, Original article Bonding mechanisms of graphene on metal surfaces (2012) Kozlov SM, Vines F, Görling A Journal article, Original article P-doped multiwall carbon nanotube/perylene diimide derivative photoelectrochemical cells for photocurrent generation (2012) Troeger A, Ledendecker M, Margraf J, Sgobba V, Guldi DM, Vieweg B, Spiecker E, et al. Journal article, Original article A test of improved force field parameters for urea: molecular-dynamics simulations of urea crystals (2012) Ozpinar GA, Beierlein F, Peukert W, Zahn D, Clark T Journal article Competition for graphene: Graphynes with direction-dependent dirac cones (2012) Malko D, Neiß C, Vines F, Görling A Journal article, Original article Resolution of identity approach for the Kohn-Sham correlation energy within the exact-exchange random-phase approximation (2012) Bleiziffer P, Heßelmann A, Görling A Journal article, Original article Accelerated cluster structure search using electron diffraction data in a genetic algorithm (2012) Neiß C, Schooss D Journal article, Original article Kinetics of the sulfur oxidation on palladium: A combined in situ x-ray photoelectron spectroscopy and density-functional study (2012) Gotterbarm K, Luckas N, Höfert O, Lorenz MPA, Streber R, Papp C, Vines F, et al. Journal article