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The Journal of Chemical Physics|October 15, 2013
A first-principles based force-field for Li+ and OH- in ethanolic solutionTheodor Milek, Bernd Meyer, Dirk ZahnNano Letters|August 1, 2014
Molecular simulation of AG nanoparticle nucleation from solution: redox-reactions direct the evolution of shape and structureTheodor Milek, Dirk ZahnPlos One|May 12, 2015
Molecular Mechanisms of ZnO Nanoparticle Dispersion in Solution: Modeling of Surfactant Association, Electrostatic Shielding and Counter Ion DynamicsPatrick Duchstein, Theodor Milek, Dirk ZahnJournal of Molecular Modeling|September 19, 2015
Molecular modeling of amorphous, non-woven polymer networksConstantin A Krausse, Theodor Milek, Dirk ZahnChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 19, 2010
Motif reconstruction in clusters and layers: benchmarks for the Kawska-Zahn approach to model crystal formationTheodor Milek, Patrick Duchstein, Gotthard Seifert, et al.Journal of Molecular Modeling|February 25, 2014
Charge distribution analysis in Ag(n)(m⁺) clusters: molecular modeling and DFT calculationsTheodor Milek, Tibor Döpper, Christian Neiss, et al.The Journal of Chemical Physics|August 17, 2015
On the mechanism of Zn4O-acetate precursors ripening to ZnO: How dimerization is promoted by hydroxide incorporationTheodor Milek, Rolf W Kirschbaum, Marc S V Gernler, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 28, 2015
Thermodynamics and Kinetics of Prenucleation Clusters, Classical and Non-Classical NucleationDirk ZahnPhysical Review Letters|March 6, 2004
Atomistic mechanism of NaCl nucleation from an aqueous solutionDirk ZahnThe Journal of Chemical Physics|August 13, 2005
Unprejudiced identification of reaction mechanisms from biased transition path samplingDirk ZahnPageof 23