Lehrstuhl für Theoretische Chemie

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 Organic Nucleation: Water Rearrangement Reveals the Pathway of Ibuprofen (2024) Lu H, Macht M, Rosenberg R, Wiedenbeck E, Lukas M, Qi D, Maltseva D, et al. Journal article Au-Catalyzed Energy Release in a Molecular Solar Thermal (MOST) System: A Combined Liquid-Phase and Surface Science Study (2024) Eschenbacher R, Hemauer F, Franz E, Leng A, Schwaab V, Waleska-Wellnhofer N, Freiberger EM, et al. Journal article