Lehrstuhl für Theoretische Chemie

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 On the molecular mechanisms of the acid-induced dissociation of hydroxy-apatite in water (2011) Hochrein O, Zahn D Journal article