| Cheap but accurate calculation of chemical reaction rate constants from ab initio data, via system-specific, black-box force fields J Steffen, B Hartke The Journal of chemical physics 147 (16), 2017 | 12 | 2017 |
| A new class of reaction path based potential energy surfaces enabling accurate black box chemical rate constant calculations J Steffen The Journal of chemical physics 150 (15), 2019 | 8 | 2019 |
| Structure Formation in an Ionic Liquid Wetting Layer: A Combined STM, IRAS, DFT and MD Study of [C2C1Im][OTf] on Au(111) H Bühlmeyer, J Hauner, R Eschenbacher, J Steffen, S Trzeciak, ... Chemistry–A European Journal 29 (46), e202301328, 2023 | 7 | 2023 |
| Reactivity of a model SCILL: Influence of co-adsorbed [C2C1Im][OTf] on the dehydrogenation of dimethylamine on Pt (111) R Eschenbacher, J Steffen, K Farrugia, N Taccardi, P Wasserscheid, ... Surface Science 743, 122453, 2024 | 6 | 2024 |
| Temperature-Dependent Structure Formation in the Wetting Layer of the Ionic Liquid [C2C1Im][OTf] on Au(111) J Hauner, H Bühlmeyer, J Steffen, S Trzeciak, N Taccardi, ... The Journal of Physical Chemistry C 128 (9), 3894-3906, 2024 | 4 | 2024 |
| Bromine adsorption and thermal stability on Rh (111): a combined XPS, LEED and DFT study EM Freiberger, J Steffen, NJ Waleska‐Wellnhofer, A Harrer, F Hemauer, ... ChemPhysChem 24 (22), e202300510, 2023 | 4 | 2023 |
| Unraveling the Effect of Rh Isolation on Shallow d States of Gallium–Rhodium Alloys TE Hsieh, S Maisel, H Wittkämper, J Frisch, J Steffen, RG Wilks, C Papp, ... The Journal of Physical Chemistry C 127 (41), 20484-20490, 2023 | 4 | 2023 |
| Investigation of the Impact of High Concentration LiTFSI Electrolytes on Silicon Anodes with Reactive Force Field Simulations H Cavers, J Steffen, N Gogoi, R Adelung, B Hartke, S Hansen Liquids 3 (1), 132-158, 2023 | 4 | 2023 |
| Atomic diffusion in liquid gallium and gallium-nickel alloys probed by quasielastic neutron scattering and molecular dynamic simulations A Shahzad, F Yang, J Steffen, C Neiss, A Panchenko, K Goetz, C Vogel, ... Journal of Physics: Condensed Matter 36 (17), 175403, 2024 | 3 | 2024 |
| Caracal: A Versatile Ring Polymer Molecular Dynamics Simulation Package J Steffen Journal of Chemical Theory and Computation 19 (16), 5334-5355, 2023 | 3 | 2023 |
| Comparison of Implicit and Explicit Solvent Approaches in Ab Initio Evaluation of Thermochemistry in Solution: Application in Studying Boron Isotope Fractionation in Water A Alibakhshi, J Steffen, C Pinilla, B Hartke The Journal of Physical Chemistry A 127 (11), 2503-2510, 2023 | 3 | 2023 |
| Supported Catalytically Active Liquid Metal Solutions: Liquid Metal Catalysis with Ternary Alloys, Enhancing Activity in Propane Dehydrogenation M Moritz, S Maisel, N Raman, H Wittkämper, C Wichmann, M Grabau, ... ACS Catalysis 14 (9), 6440-6450, 2024 | 2 | 2024 |
| Bromination of 2D materials EM Freiberger, J Steffen, NJ Waleska-Wellnhofer, F Hemauer, V Schwaab, ... Nanotechnology 35 (14), 145703, 2024 | 2 | 2024 |
| Atomic Layer Deposition of HfS2 on Functionalized Self-Assembled Monolayers on Ordered Oxide Surfaces: A Model Study under UHV Conditions G Fickenscher, J Steffen, A Görling, J Libuda The Journal of Physical Chemistry C 128 (2), 798-809, 2024 | 2 | 2024 |
| Cover Feature: Bromine Adsorption and Thermal Stability on Rh (111): A Combined XPS, LEED and DFT Study (ChemPhysChem 22/2023) EM Freiberger, J Steffen, NJ Waleska‐Wellnhofer, A Harrer, F Hemauer, ... ChemPhysChem 24 (22), e202300745, 2023 | 1 | 2023 |
| Effects of isotope and chemical incoherence on self-diffusion of atoms in liquid alloys of gallium with isotopes of nickel: Experiments based on quasielastic neutron scattering … I Goychuk, A Panchenko, A Shahzad, J Steffen, C Neiss, K Götz, C Vogel, ... Physical Review B 111 (6), 064302, 2025 | | 2025 |
| Model catalytic studies on the thermal dehydrogenation of the benzaldehyde/cyclohexylmethanol LOHC system on Pt (111) V Schwaab, F Hemauer, J Steffen, NJ Waleska‐Wellnhofer, ... Chemistry–A European Journal 30 (72), e202402793, 2024 | | 2024 |
| Adsorption and Thermal Evolution of the Carbonyl‐functionalized Ionic Liquid [5‐oxo‐C6C1Im][NTf2] on Pt(111): A Combined IRAS, STM, and DFT Study H Bühlmeyer, L Knörr, J Steffen, R Eschenbacher, J Hauner, A Görling, ... Chemistry–A European Journal, e202403900, 2024 | | 2024 |
| Hydrogen diffusion on Ni (100): A combined machine-learning, ring polymer molecular dynamics, and kinetic Monte Carlo study J Steffen, A Alibakhshi The Journal of Chemical Physics 161 (18), 2024 | | 2024 |
| Hydrogen diffusion on Ni (100): A Combined Machine-Learning, Ring Polymer Molecular Dynamics, and Kinetic Monte Carlo Study A Alibakhshi, J Steffen | | 2024 |
Andreas GorlingProfessor of Theoretical Chemistry, Friedrich-Alexander-Universität Erlangen-NürnbergBestätigte E-Mail-Adresse bei fau.de
