Lehrstuhl für Theoretische Chemie

Study of the Wilcox torsion balance in solution for a Troger's base derivative with hexyl-and heptyl substituents using a combined molecular mechanics and quantum chemistry approach (2019) Heßelmann A, Ferraro F Journal article Superoleophilic Magnetic Iron Oxide Nanoparticles for Effective Hydrocarbon Removal from Water (2019) Sarcletti M, Vivod D, Luchs T, Rejek T, Portilla Berlanga L, Müller L, Dietrich H, et al. Journal article Molecular Topology and the Surface Chemical Bond: Alternant Versus Nonalternant Aromatic Systems as Functional Structural Elements (2019) Klein BP, Van Der Heijden NJ, Kachel SR, Franke M, Krug CK, Greulich KK, Ruppenthal L, et al. Journal article Improved GAFF2 parameters for fluorinated alkanes and mixed hydro- and fluorocarbons (2019) Träg J, Zahn D Journal article Dynamic CO Adsorption and Desorption through the Ionic Liquid Layer of a Pt Model Solid Catalyst with Ionic Liquid Layers (2019) Schuschke C, Hohner C, Stumm C, Kettner M, Fromm L, Görling A, Libuda J Journal article Magnetite nanoparticles as efficient materials for removal of glyphosate from water (2019) Park H, May A, Portilla L, Dietrich H, Münch F, Rejek T, Sarcletti M, et al. Journal article Molecular simulations of crystal growth: From understanding to tailoring (2019) Duchstein P, Ectors P, Zahn D Journal article, Review article Supported liquid metals - A new class of robust dehydrogenation catalysts (2019) Taccardi N, Grabau M, Debuschewltz J, Distaso M, Brandl M, Hock R, Maier F, et al. Conference contribution First-Principles Calculation of Triplet Exciton Diffusion in Crystalline Poly(p-phenylene vinylene) (2019) Lyskov I, Trushin E, Baragiola BQ, Schmidt TW, Cole JH, Russo SP Journal article Nanoribbons with Nonalternant Topology from Fusion of Polyazulene: Carbon Allotropes beyond Graphene (2019) Fan Q, Martin-Jimenez D, Ebeling D, Krug CK, Brechmann L, Kohlmeyer C, Hilt G, et al. Journal article