Lehrstuhl für Theoretische Chemie

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 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 Bromination of 2D materials (2024) Freiberger EM, Steffen J, Waleska-Wellnhofer N, Hemauer F, Schwaab V, Görling A, Steinrück HP, Papp C 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 Molecular Characterization of Mesoporous Silica (Un)loading by Gemcitabine and Ibuprofen – An Interplay of Salt-Bridges and Hydrogen Bonds (2024) Aziz A, Macht M, Becit B, Zahn D Journal article Intramolecular Triplet Diffusion Facilitates Triplet Dissociation in a Pentacene Hexamer (2024) Greißel P, Thiel D, Gotfredsen H, Chen L, Krug M, Papadopoulos I, Miskolzie M, et al. Journal article In Silico Study of Camptothecin-Based Pro-Drugs Binding to Human Carboxylesterase 2 (2024) Beierlein F, Horn A, Sticht H, Mokhir A, Imhof P Journal article Atomic diffusion in liquid gallium and gallium-nickel alloys probed by quasielastic neutron scattering and molecular dynamic simulations (2024) Shahzad A, Yang F, Steffen J, Neiß C, Panchenko A, Götz K, Vogel C, et al. Journal article Atomic Layer Deposition of HfS2 on Functionalized Self-Assembled Monolayers on Ordered Oxide Surfaces: A Model Study under UHV Conditions (2024) Fickenscher G, Steffen J, Görling A, Libuda J Journal article