Publications of Karsten Reuter
All genres
Journal Article (318)
2023
Journal Article
O.V. Vinogradova, K. Reuter and V.J. Bukas: Trends of Pd3Au(111) Alloy Surface Segregation in Oxygen, Carbon, and Nitrogen Environments. The Journal of Physical Chemistry C 127 (45), 22060–22066 (2023).
Journal Article
M. Vondrák, K. Reuter and J. Margraf: q-pac: A Python package for machine learned charge equilibration models. The Journal of Chemical Physics 159 (5), 054109 (2023).
Journal Article
K. Reuter, and : Unlocking the performance of ternary metal (hydro)oxide amorphous catalysts via data-driven active-site engineering. , , , , , , Energy & Environmental Science 16 (11), 5065–5075 (2023).
2022
Journal Article
S. Beinlich, N. Hörmann and K. Reuter: Field Effects at Protruding Defect Sites in Electrocatalysis at Metal Electrodes? ACS Catalysis 12 (10), 6143–6148 (2022).
Journal Article
K. Chen, C. Kunkel, K. Reuter and J. Margraf: Reorganization energies of flexible organic molecules as a challenging target for machine learning enhanced virtual screening. Digital Discovery 1 (2), 147–157 (2022).
Journal Article
K. Reuter and : Selectivity Trends and Role of Adsorbate-Adsorbate Interactions in CO Hydrogenation on Rhodium Catalysts. , , , ACS Catalysis 12 (13), 7907–7917 (2022).
Journal Article
R. Dupuy, , C. Richter, , F. Trinter, T. Buttersack, , , U. Hergenhahn, , B. Winter, K. Reuter and H. Bluhm: Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface. Physical Chemistry Chemical Physics 24 (8), 4796–4808 (2022).
Journal Article
F. Felsen, K. Reuter and C. Scheurer: A model-free sparse approximation approach to robust formal reaction kinetics. Chemical Engineering Journal 433 (1), 134121 (2022).
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K. Reuter and : Piecewise Multipole-Expansion Implicit Solvation for Arbitrarily Shaped Molecular Solutes. , Journal of Chemical Theory and Computation 18 (1), 461–478 (2022).
Journal Article
E. Keller, T. Tsatsoulis, K. Reuter and J. Margraf: Regularized second-order correlation methods for extended systems. The Journal of Chemical Physics 156 (2), 024106 (2022).
Journal Article
K. Reuter, and : Di- and Tetrameric Molybdenum Sulfide Clusters Activate and Stabilize Dihydrogen as Hydrides. , , , JACS Au 2 (3), 613–622 (2022).
Journal Article
P. Kube, J. Dong, , , R. Schlögl, J. Margraf, K. Reuter and A. Trunschke: Green synthesis of propylene oxide directly from propane. Nature Communications 13, 7504 (2022).
Journal Article
Y. Lee, C. Scheurer and K. Reuter: Epitaxial Core-Shell Oxide Nanoparticles: First-Principles Evidence for Increased Activity and Stability of Rutile Catalysts for Acidic Oxygen Evolution. ChemSusChem 15 (10), e202200015 (2022).
Journal Article
J. Margraf, , K. Reuter, and : CO2-Activation by size-selected tantalum cluster cations (Ta1–16+): thermalization governing reaction selectivity. , Physical Chemistry Chemical Physics 24 (4), 2623–2629 (2022).
Journal Article
J. Margraf, , and K. Reuter: Heterogeneous Catalysis in Grammar School. The Journal of Physical Chemistry C 126 (6), 2931–2936 (2022).
Journal Article
K. Reuter, and : Human- and machine-centred designs of molecules and materials for sustainability and decarbonization. , , , , , , , , , , , , Nature Reviews Materials 7 (12), 991–1009 (2022).