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Professur für Theoretische Chemie
Friedrich-Alexander-Universität Erlangen-Nürnberg
Naturwissenschaftliche Fakultät
Department Chemie und Pharmazie
Lehrstuhl für Theoretische Chemie
Overview
Publications
(126)
Research Grants
(4)
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Journal article
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Efficient Assessment of ‘Instantaneous pK’ Values from Molecular Dynamics Simulations (2023)
Duchstein P, Löffler F, Zahn D
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
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
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
Multi-Scale Modelling of Plastic Deformation, Damage and Relaxation in Epoxy Resins (2022)
Konrad J, Pfaller S, Zahn D
Journal article
Small-Molecular-Weight Additives Modulate Calcification by Interacting with Prenucleation Clusters on the Molecular Level (2022)
Duchstein P, Schodder P, Leupold S, Dao TQN, Kababya S, Cicconi MR, de Ligny D, et al.
Journal article
On the Role of Amides and Imides for Understanding GaN Syntheses from Ammonia Solution: Molecular Mechanics Models of Ammonia, Amide and Imide Interactions with Gallium Nitride (2022)
Wonglakhon T, Zahn D
Journal article
Molecular Dynamics Simulations of Nitrate/MgO Interfaces andUnderstanding Metastability of Thermochemical Materials br (2022)
Shkatulov A, Becit B, Zahn D
Journal article
Molecular dynamics simulation study of NH4+ and NH2− in liquid ammonia: interaction potentials, structural and dynamical properties (2022)
Wonglakhon T, Zahn D
Journal article
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