Exzellenz-Cluster Engineering of Advanced Materials

Establishing conditions for simulating hydrophobic solutes in electric fields by molecular dynamics Effects of the long-range van der Waals treatment on the apparent particle mobility (2014) Milicevic Z, Marrink SJ, Smith AS, Smith DM Journal article, Original article Current noise in single-molecule junctions induced by electronic-vibrational coupling (2014) Schinabeck C, Härtle R, Weber HB, Thoss M Journal article, Letter Calculating CD Spectra of Flexible Peptides: An Assessment of TD-DFT Functionals (2014) Brkljaca Z, Malis M, Smith DM, Smith AS Journal article, Original article Model-based prediction of optimal conditions for 1-octene hydroformylation (2014) Hentschel B, Peschel A, Xie M, Vogelpohl C, Sadowski G, Freund H, Sundmacher K Journal article Electron-beam induced deposition and autocatalytic decomposition of Co(CO)(3)NO (2014) Vollnhals F, Drost M, TU F, Carrasco Burgos E, Späth A, Fink R, Steinrück HP, Marbach H Journal article Mesoscopic Structures of Triglyceride Nanosuspensions Studied by Small-Angle X-ray and Neutron Scattering and Computer Simulations (2014) Schmiele M, Schindler T, Westermann M, Steiniger F, Radulescu A, Kriele A, Gilles R, Unruh T Journal article Prototyping of catalyst pore-systems by a combined synthetic, analytical and computational approach: Application to mesoporous TiO2 (2014) Novak V, Ortel E, Winter B, Butz B, Paul B, Koci P, Marek M, et al. Journal article Indentation and Self-Healing Mechanisms of a Self-Assembled Monolayer-A Combined Experimental and Modeling Study (2014) Meltzer C, Paul J, Dietrich H, Jäger C, Clark T, Zahn D, Braunschweig B, Peukert W Journal article Role of Oxygen in Acetic Acid Decomposition on Pt(111) (2014) Neitzel A, Lykhach Y, Johanek V, Tsud N, Skala T, Prince KC, Matolin V, Libuda J Journal article Coupled relaxation processes in a glass forming ZrTiNiCuBe liquid (2014) Yang F, Unruh T, Meyer A Journal article