Lehrstuhl für Theoretische Chemie

Molecular Orientation and Structural Transformations in Phthalic Anhydride Thin Films on MgO(100)/Ag(100) (2015) Mohr S, Xu T, Döpper T, Laurin M, Görling A, Libuda J Journal article Carbon Nanodots: Supramolecular Electron Donor-Acceptor Hybrids Featuring Perylenediimides (2015) Strauß V, Margraf J, Dirian K, Syrgiannis Z, Prato M, Wessendorf C, Hirsch A, et al. Journal article Infiltration of silver into porous SnO2-x : influence of atmosphere, interfacial reactions, and surface properties (2015) Jung M, Krausmann J, Bender M, Bachmann J, Roedel J Journal article, Original article Self-consistent Kohn-Sham method based on the adiabatic-connection fluctuation-dissipation theorem and the exact-exchange kernel (2015) Görling A, Bleiziffer P, Krug M Journal article Exchange-correlation potentials with proper discontinuities for physically meaningful Kohn-Sham eigenvalues and band structures (2015) Görling A Journal article EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions (2015) Margraf J, Hennemann M, Meyer B, Clark T Journal article Cumulene Rotaxanes: Stabilization and Study of [9]Cumulenes (2015) Franz M, Januszewski J, Wendinger D, Neiß C, Movsisyan LD, Hampel F, Anderson HL, et al. Journal article Chiral (SO)-N-(SO) Sulfoxide Pincer Complexes of Mg, Rh, and Ir: N-H Activation and Selective Sulfoxide Reduction upon Ligand Coordination (2015) Locke H, Herrera AC, Heinemann FW, Linden A, Frieß S, Schmid B, Dorta R Journal article Reversible Hydrogenation of Graphene on Ni(111)-Synthesis of ’Graphone’ (2015) Zhao W, Gebhardt J, Späth F, Gotterbarm K, Gleichweit C, Steinrück HP, Görling A, Papp C Journal article Multifunctional layered magnetic composites (2015) Siglreitmeier M, Wu B, Kollmann T, Neubauer M, Nagy G, Schwahn D, Pipich V, et al. Journal article