Lehrstuhl für Theoretische Chemie

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 Hyperfine coupling constants of the nitrogen and phosphorus atoms: A challenge for exact-exchange density-functional and post-Hartree-Fock methods (2010) Kaupp M, Arbuznikov AV, Heßelmann A, Görling A Journal article, Original article Extension of exact-exchange density functional theory of solids to finite temperatures (2010) Greiner M, Carrier P, Görling A Journal article, Original article