Lehrstuhl für Theoretische Chemie

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 Structures of small bismuth cluster cations (2012) Kelting R, Baldes A, Schwarz U, Rapps T, Schooss D, Weis P, Neiß C, et al. Journal article, Original article Dehydrogenation of Dodecahydro-N-ethylcarbazole on Pd/Al2O3 Model Catalysts (2011) Sobota M, Nikiforidis I, Amende M, Sanmartίn Zanón B, Staudt T, Höfert O, Lykhach Y, et al. Journal article Hydrolysis of a Basic Bismuth Nitrate-Formation and Stability of Novel Bismuth Oxido Clusters (2011) Miersch L, Schlesinger M, Troff RW, Schalley CA, Rueffer T, Lang H, Zahn D, Mehring M Journal article Atomistic modeling of apatite-collagen composites from molecular dynamics simulations extended to hyperspace (2011) Duchstein P, Zahn D Journal article Atomistisches Verständnis der Keimbildung und des Kristallwachstums durch molekulare Simulationen (2011) Anwar J, Zahn D Journal article