Lehrstuhl für Theoretische Chemie

Electron-beam-induced deposition and post-treatment processes to locally generate clean titanium oxide nanostructures on Si(100) (2011) Schirmer M, Walz MM, Vollnhals F, Lukasczyk T, Sandmann A, Chen C, Steinrück HP, Marbach H Journal article Adsorption and reaction of terephthaloyl chloride on Ag(111): X-ray photoelectron spectroscopy and density functional theory investigations (2011) Schmid M, Hieringer W, Schmitz CH, Steinrück HP, Sokolowski M, Gottfried M Journal article Structure, morphology and interface properties of ultrathin SnTTBPP(OH)2-films adsorbed on Ag(100) (2011) Schmidt NA, Hub C, Gnichwitz JF, Hieringer W, Hirsch A, Fink R Journal article, Original article Atomistic In Situ Investigation of the Morphogenesis of Grains during Pressure-Induced Phase Transitions: Molecular Dynamics Simulations of the B1-B2 Transformation of RbCl (2010) Zahn D, Tlatlik H Journal article A Molecular Rationale of Shock Absorption and Self-Healing in a Biomimetic Apatite-Collagen Composite under Mechanical Load (2010) Zahn D Journal article Accurate Intermolecular Interaction Energies from a Combination of MP2 and TDDFT Response Theory (2010) Pitonak M, Heßelmann A Journal article The role of orbital transformations in coupled-pair functionals (2010) Kollmar C, Heßelmann A Journal article Motif Reconstruction in Clusters and Layers: Benchmarks for the Kawska-Zahn Approach to Model Crystal Formation (2010) Milek T, Duchstein P, Seifert G, Zahn D Journal article Random phase approximation correlation energies with exact Kohn-Sham exchange (2010) Heßelmann A, Görling A Journal article, Original article Molecular wires in single-molecule junctions: Charge transport and vibrational excitations (2010) Ballmann S, Hieringer W, Secker D, Zheng Q, Gladysz JA, Görling A, Weber HB Journal article, Original article