Lehrstuhl für Theoretische Chemie

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 Bottom-to-top modeling of epoxy resins: From atomic models to mesoscale fracture mechanisms (2024) Konrad J, Zahn D Journal article Conformational Landscapes and Energetics of Carbon Nanohoops and their Ring-in-Ring Complexes (2024) Geue N, Freiberger M, Frühwald S, Görling A, Drewello T, Barran PE Journal article Laterally π-Extensed Nitrogen-Doped Molecular Nanographenes – From Anti-Kasha Emission to Ping-Pong Energy Transfer Events (2024) Beneventi GM, Schöll K, Platzer B, Krug M, Mai L, Negri F, Cadranel A, et al. Journal article Tailoring the Wetting Behavior of Self-Assembled Monolayers by Surface Charge (2024) Vivod D, Voß J, Halik M, Zahn D Journal article