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Lehrstuhl für Theoretische Chemie
Friedrich-Alexander-Universität Erlangen-Nürnberg
Naturwissenschaftliche Fakultät
Department Chemie und Pharmazie
Overview
Publications
(550)
Research Grants
(5)
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Journal article
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Au-Catalyzed Energy Release in a Molecular Solar Thermal (MOST) System: A Combined Liquid-Phase and Surface Science Study (2023)
Eschenbacher R, Hemauer F, Franz E, Leng A, Schwaab V, Waleska-Wellnhofer N, Freiberger EM, et al.
Journal article
Efficient Assessment of ‘Instantaneous pK’ Values from Molecular Dynamics Simulations (2023)
Duchstein P, Löffler F, Zahn D
Journal article
Unraveling the Effect of Rh Isolation on Shallow d States of Gallium-Rhodium Alloys (2023)
Hsieh TE, Maisel S, Wittkämper H, Frisch J, Steffen J, Wilks RG, Papp C, et al.
Journal article
Bromine Adsorption and Thermal Stability on Rh(111): A Combined XPS, LEED and DFT Study (2023)
Freiberger EM, Steffen J, Waleska-Wellnhofer N, Harrer A, Hemauer F, Schwaab V, Görling A, et al.
Journal article
Experimental and Theoretical Structure Elucidation of the [2 : 1] Complex Ion of Carbo[n]helicene with n=6, 7 and 8 and Ag+ (2023)
Oschwald J, Reger D, Frühwald S, Warmbrunn V, Görling A, Jux N, Drewello T
Journal article
Caracal: A Versatile Ring Polymer Molecular Dynamics Simulation Package (2023)
Steffen J
Journal article
Tailoring the Selectivity of 1,3-Butadiene versus 1-Butene Adsorption on Pt(111) by Ultrathin Ionic Liquid Films (2023)
Winter L, Trzeciak S, Fernandez C, Massicot S, Talwar T, Maier F, Zahn D, Steinrück HP
Journal article
Structure Formation in an Ionic Liquid Wetting Layer: A Combined STM, IRAS, DFT and MD Study of [C2C1Im][OTf] on Au(111) (2023)
Bühlmeyer H, Hauner J, Eschenbacher R, Steffen J, Trzeciak S, Taccardi N, Görling A, et al.
Journal article
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
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