Lehrstuhl für Theoretische Chemie

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 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 Tailoring the Wetting Behavior of Self-Assembled Monolayers by Surface Charge (2024) Vivod D, Voß J, Halik M, Zahn D Journal article Structural and Electronic Impacts of the Axial Substitution at the Phosphorus Center of C(sp3)-Bridged P-Heterotriangulenes (2024) Harrer S, Schühle JD, Neiß C, Günthert M, Mittmann L, Reule A, Leitner J, et al. Journal article A concept of dual-responsive prodrugs based on oligomerization-controlled reactivity of ester groups: an improvement of cancer cells versus neutrophils selectivity of camptothecin (2024) Klemt I, Reshetnikov V, Dutta S, Bila G, Bilyy R, Cuartero IC, Hidalgo A, et al. Journal article, Original article