Lehrstuhl für Theoretische Chemie

Bottom-to-top modeling of epoxy resins: From atomic models to mesoscale fracture mechanisms (2024) Konrad J, Zahn D Journal article Adsorption and Thermal Evolution of the Carbonyl-functionalized Ionic Liquid [5-oxo-C6C1Im][NTf2] on Pt(111): A Combined IRAS, STM, and DFT Study (2024) Bühlmeyer H, Knörr L, Steffen J, Eschenbacher R, Hauner J, Görling A, Libuda J Journal article Model Catalytic Studies on the Thermal Dehydrogenation of the Benzaldehyde/Cyclohexylmethanol LOHC System on Pt(111) (2024) Schwaab V, Hemauer F, Steffen J, Waleska-Wellnhofer N, Marie Freiberger E, Steinmetz M, Görling A, et al. Journal article New fluorogenic triacylglycerols as sensors for dynamic measurement of lipid oxidation (2024) Handke M, Beierlein F, Imhof P, Schiedel M, Hammann S Journal article Effects of Ring Functionalization in Anthracene-Based Cyclophanes on the Binding Properties Toward Nucleotides and DNA (2024) Basaran I, Agafontsev A, Morozov B, Oshchepkov AS, Imhof P, Kataev E Journal article Bottom-up Synthesis and Characterization of Porous 12-Atom-Wide Armchair Graphene Nanoribbons (2024) Fan Q, Ruan Z, Werner S, Naumann T, Bolat R, Martinez-Castro J, Koehler T, et al. Journal article Phenylphosphonic Acid on Rutile TiO2(110): Using Theoretically Predicted O 1s Spectra to Identify the Adsorption Binding Modes (2024) Wolfram A, Muth M, Köbl J, Mölkner A, Mehl S, Tsud N, Steinrück HP, et al. Journal article Accurate NMR Shieldings with σ-Functionals (2024) Fauser S, Drontschenko V, Ochsenfeld C, Görling A 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