Lehrstuhl für Theoretische Chemie

Analytical evaluation of Hylleraas-CI Coulomb and Hybrid two-center integrals over Slater-type orbitals (2023) Ruiz MB Book chapter / Article in edited volumes Thermal Stability and CO Permeability of [C4C1Pyr][NTf2]/Pd(111) Model SCILLs: from UHV to Ambient Pressure (2023) Eschenbacher R, Trzeciak S, Schuschke C, Schötz S, Hohner C, Blaumeiser D, Zahn D, et al. Journal article Wilkinson-type catalysts in ionic liquids for hydrogenation of small alkenes: understanding and improving catalyst stability (2023) Kratzer E, Schötz S, Maisel S, Blaumeiser D, Khan Antara S, Ewald L, Dotzel D, et al. Journal article Elucidating activating and deactivating effects of carboxylic acids on polyoxometalate-catalysed three-phase liquid–liquid-gas reactions (2022) Poller MJ, Bönisch S, Bertleff B, Raabe JC, Görling A, Albert J Journal article Functional molecular structures on complex oxide surfaces (2022) Libuda J, Görling A Journal article, Editorial Atomic Layer Deposition of HfS2 on Oxide Interfaces: A Model Study on the Initial Nucleation Processes (2022) Fickenscher G, Fromm L, Görling A, Libuda J Journal article Retraction Note: Precise determination of graphene functionalization by in situ Raman spectroscopy (2022) Vecera P, Chacón-Torres JC, Pichler T, Reich S, Soni H, Görling A, Edelthalhammer K, et al. Journal article, Erratum Interplay of Hydration and Protonation Dynamics in the K-Channel of Cytochrome c Oxidase (2022) Gorriz RF, Imhof P Journal article Molecular Simulations and Network Analyses of Surface/Interface Effects in Epoxy Resins: How Bonding Adapts to Boundary Conditions (2022) Konrad J, Moretti P, Zahn D Journal article Scaled σ -functionals for the Kohn-Sham correlation energy with scaling functions from the homogeneous electron gas (2022) Erhard J, Fauser S, Trushin E, Görling A Journal article