Lehrstuhl für Theoretische Chemie

Molecular Mechanisms of ZnO Nanoparticle Dispersion in Solution: Modeling of Surfactant Association, Electrostatic Shielding and Counter Ion Dynamics (2015) Duchstein P, Milek T, Zahn D Journal article Molecular modeling of (1010) and (0001) zinc oxide surface growth from solution: islands, ridges and growth-controlling additives (2015) Milek T, Zahn D Journal article Molecular modeling of amorphous, non-woven polymer networks (2015) Krausse CA, Milek T, Zahn D Journal article On the mechanism of Zn4O-acetate precursors ripening to ZnO: How dimerization is promoted by hydroxide incorporation (2015) Segets D, Milek T, Kirschbaum R, von Gernler M, Lübbert C, Drewello T, Peukert W, Zahn D Journal article, Original article Self-assembly and coverage dependent thermally induced conformational changes of Ni(II)-meso-tetrakis (4-tert-butylphenyl) benzoporphyrin on Cu(111) (2015) Zhang L, Lepper M, Stark MW, Lungerich D, Jux N, Hieringer W, Steinrück HP, Marbach H Journal article Improving the Performance of Organic Thin-Film Transistors by Ion Doping of Ethylene-Glycol-Based Self-Assembled Monolayer Hybrid Dielectrics (2015) Dietrich H, Scheiner S, Portilla Berlanga L, Zahn D, Halik M Journal article, Report Tuning the reorganization energy of electron transfer in supramolecular ensembles - metalloporphyrin, oligophenylenevinylenes, and fullerene - and the impact on electron transfer kinetics (2015) Stangel C, Schubert C, Kuhri S, Rotas G, Margraf J, Regulska E, Clark T, et al. Journal article Atomistic modeling of a KRT35/KRT85 keratin dimer: folding in aqueous solution and unfolding under tensile load (2015) Duchstein P, Clark T, Zahn D Journal article A carbon-carbon hybrid - immobilizing carbon nanodots onto carbon nanotubes (2015) Strauß V, Margraf J, Clark T, Guldi DM Journal article A computational study on possible active species in nickel(II)-catalyzed 1-butene dimerization in [BMIM](+)[AlCl4](-) ionic liquid solution (2015) Görling A, Hieringer W, Nikiforidis I Journal article, Original article