Lehrstuhl für Theoretische Chemie

Reversible chirality inversion of an AuAgx-cysteine coordination polymer by pH change (2024) Ni B, Vivod D, Avaro J, Qi H, Zahn D, Wang X, Cölfen H Journal article Molecular Dynamics Simulation of Silicone Oil Polymerization from Combined QM/MM Modeling (2024) Puhlmann P, Zahn D Journal article Unveiling the Multielectron Acceptor Properties of π-Expanded Pyracylene: Reversible Boat to Chair Conversion (2024) Zhu Y, Borstelmann J, Bertleff O, Bergner J, Wei Z, Neiß C, Görling A, et al. Journal article Evolution of Surface Tension and Hansen Parameters of a Homologous Series of Imidazolium-Based Ionic Liquids (2024) Mayer S, Bergen A, Zhai Z, Trzeciak S, Chu J, Zahn D, Koller TM, et al. Journal article, Original article Reactivity of a model SCILL: Influence of co-adsorbed [C2C1Im][OTf] on the dehydrogenation of dimethylamine on Pt(111) (2024) Eschenbacher R, Steffen J, Farrugia K, Taccardi N, Wasserscheid P, Görling A, Libuda J Journal article Supported Catalytically Active Liquid Metal Solutions: Liquid Metal Catalysis with Ternary Alloys, Enhancing Activity in Propane Dehydrogenation (2024) Moritz M, Maisel S, Raman N, Wittkämper H, Wichmann C, Grabau M, Kahraman D, et al. Journal article Bromination of 2D materials (2024) Freiberger EM, Steffen J, Waleska-Wellnhofer N, Hemauer F, Schwaab V, Görling A, Steinrück HP, Papp C Journal article The small molecule activator S3969 stimulates the epithelial sodium channel by interacting with a specific binding pocket in the channel's β-subunit (2024) Sure F, Einsiedel J, Gmeiner P, Duchstein P, Zahn D, Korbmacher C, Ilyaskin A Journal article Basis Set Requirements of σ-Functionals for Gaussian- and Slater-Type Basis Functions and Comparison with Range-Separated Hybrid and Double Hybrid Functionals (2024) Fauser S, Förster A, Redeker L, Neiß C, Erhard J, Trushin E, Görling A Journal article Toward High-Energy-Density Fuels for Direct Liquid Organic Hydrogen Carrier Fuel Cells: Electrooxidation of 1-Cyclohexylethanol (2024) Fusek L, Briega-Martos V, Minichová M, Fromm L, Franz E, Yang J, Görling A, et al. Journal article