Lehrstuhl für Theoretische Chemie

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 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