Lehrstuhl für Theoretische Chemie

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 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