Lehrstuhl für Theoretische Chemie

Chemical fingerprints of large organic molecules in scanning tunneling microscopy: Imaging adsorbate-substrate coupling of metalloporphyrins (2009) Buchner F, Warnick KG, Wölfle T, Görling A, Steinrück HP, Hieringer W, Marbach H Journal article, Original article COLL 106-Surface chemistry with metalloporphyrins and metallophthalocyanines: Formation, structure, and reactivity (2008) Bai Y, Flechtner K, Marbach H, Buchner F, Hieringer W, Görling A, Shubina T, et al. Journal article Improved supermolecular second order Mo̸ller-Plesset intermolecular interaction energies using time-dependent density functional response theory (2008) Heßelmann A Journal article Stacking Energies for Average B-DNA Structures from the Combined Density Functional Theory and Symmetry-Adapted Perturbation Theory Approach (2008) Fiethen A, Jansen G, Heßelmann A, Schuetz M Journal article Static and Frequency-Dependent Dipole--Dipole Polarizabilities of All Closed-Shell Atoms up to Radium: A Four-Component Relativistic DFT Study (2008) Bast R, Heßelmann A, Salek P, Helgaker T, Saue T Journal article Relation between exchange-only optimized potential and Kohn-Sham methods with finite basis sets, and effect of linearly dependent products of orbital basis functions (2008) Görling A, Heßelmann A, Jones M, Levy M Journal article, Original article Comparison between optimized effective potential and Kohn-Sham methods (2008) Heßelmann A, Görling A Journal article, Original article Synthesis and photoinduced electron-transfer properties of phthalocyanine-[60]fullerene conjugates. (2008) Quintiliani M, Kahnt A, Wölfle T, Hieringer W, Vázquez P, Görling A, Guldi DM, Torres T Journal article, Original article Comparative study of the structures of copper, silver, and gold icosamers: Influence of metal type and charge state (2008) Lechtken A, Neiß C, Stairs J, Schooss D Journal article, Original article Modeling of the Diffusion and Activation of Arsenic in Silicon Including Clustering and Precipitation (2008) Martinez Limia A, Pichler P, Steen C, Paul S, Lerch W Conference contribution