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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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Reversible chirality inversion of an AuAgx-cysteine coordination polymer by pH change (2024)
Ni B, Vivod D, Avaro J, Qi H, Zahn D, Wang X, Cölfen H
Journal article
Violations of the v -representability condition underlying Kohn-Sham density-functional theory (2024)
Trushin E, Erhard J, Görling A
Journal article
Molecular Dynamics Simulation of Silicone Oil Polymerization from Combined QM/MM Modeling (2024)
Puhlmann P, Zahn D
Journal article
Unveiling the Multielectron Acceptor Properties of π-Expanded Pyracylene: Reversible Boat to Chair Conversion (2024)
Zhu Y, Borstelmann J, Bertleff O, Bergner J, Wei Z, Neiß C, Görling A, et al.
Journal article
Evolution of Surface Tension and Hansen Parameters of a Homologous Series of Imidazolium-Based Ionic Liquids (2024)
Mayer S, Bergen A, Zhai Z, Trzeciak S, Chu J, Zahn D, Koller TM, et al.
Journal article, Original article
Reactivity of a model SCILL: Influence of co-adsorbed [C2C1Im][OTf] on the dehydrogenation of dimethylamine on Pt(111) (2024)
Eschenbacher R, Steffen J, Farrugia K, Taccardi N, Wasserscheid P, Görling A, Libuda J
Journal article
Supported Catalytically Active Liquid Metal Solutions: Liquid Metal Catalysis with Ternary Alloys, Enhancing Activity in Propane Dehydrogenation (2024)
Moritz M, Maisel S, Raman N, Wittkämper H, Wichmann C, Grabau M, Kahraman D, et al.
Journal article
The small molecule activator S3969 stimulates the epithelial sodium channel by interacting with a specific binding pocket in the channel's β-subunit (2024)
Sure F, Einsiedel J, Gmeiner P, Duchstein P, Zahn D, Korbmacher C, Ilyaskin A
Journal article
Bromination of 2D materials (2024)
Freiberger EM, Steffen J, Waleska-Wellnhofer N, Hemauer F, Schwaab V, Görling A, Steinrück HP, Papp C
Journal article
Basis Set Requirements of σ-Functionals for Gaussian- and Slater-Type Basis Functions and Comparison with Range-Separated Hybrid and Double Hybrid Functionals (2024)
Fauser S, Förster A, Redeker L, Neiß C, Erhard J, Trushin E, Görling A
Journal article
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