Karsten Reuter, Prof. Dr.

Chemistry Technical University Munich, Germany, München, Bayern, Germany 
"Karsten Reuter"
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Ringe S, Hörmann NG, Oberhofer H, et al. (2021) Implicit Solvation Methods for Catalysis at Electrified Interfaces. Chemical Reviews
Kahk JM, Michelitsch GS, Maurer RJ, et al. (2021) Core Electron Binding Energies in Solids from Periodic All-Electron Δ-Self-Consistent-Field Calculations. The Journal of Physical Chemistry Letters. 12: 9353-9359
Cingolani JS, Deimel M, Köcher S, et al. (2020) Interface between graphene and liquid Cu from molecular dynamics simulations. The Journal of Chemical Physics. 153: 074702
Panosetti C, Engelmann A, Nemec L, et al. (2020) Learning to Use the Force: Fitting Repulsive Potentials in Density-Functional Tight-Binding with Gaussian Process Regression. Journal of Chemical Theory and Computation
Stuke A, Kunkel C, Golze D, et al. (2020) Atomic structures and orbital energies of 61,489 crystal-forming organic molecules. Scientific Data. 7: 58
He T, Reuter K, Du A. (2020) Atomically dispersed asymmetric Cu–B pair on 2D carbon nitride synergistically boosts the conversion of CO into C2 products Journal of Materials Chemistry. 8: 599-606
Gütlein P, Lang L, Reuter K, et al. (2019) Toward First-Principles-Level Polarization Energies in Force Fields: A Gaussian Basis for the Atom-Condensed Kohn-Sham Method. Journal of Chemical Theory and Computation
Margraf JT, Kunkel C, Reuter K. (2019) Towards density functional approximations from coupled cluster correlation energy densities. The Journal of Chemical Physics. 150: 244116
Andersen M, Panosetti C, Reuter K. (2019) A Practical Guide to Surface Kinetic Monte Carlo Simulations. Frontiers in Chemistry. 7: 202
Blowey PJ, Maurer RJ, Rochford LA, et al. (2019) The Structure of VOPc on Cu(111): Does V=O Point Up, or Down, or Both? The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 123: 8101-8111
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