Lehrstuhl für Theoretische Chemie

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 Size-Dependent Phase Stability of a Molecular Nanocrystal: a Proxy for Investigating the Early Stages of Crystallization (2011) Zahn D, Anwar J Journal article Uncovering Molecular Processes in Crystal Nucleation and Growth by Using Molecular Simulation (2011) Anwar J, Zahn D Journal article Third-order corrections to random-phase approximation correlation energies (2011) Heßelmann A Journal article Modeling martensic transformations in crystalline solids: validity and redesign of geometric approaches (2011) Zahn D Journal article On the accuracy of DFT-SAPT, MP2, SCS-MP2, MP2C, and DFT + Disp methods for the interaction energies of endohedral complexes of the C60 fullerene with a rare gas atom (2011) Heßelmann A, Korona T Journal article