Publications of Karsten Reuter

Liu, Z.; Stecher, T.; Oberhofer, H.; Reuter, K.; Scheurer, C.: Response properties at the dynamic water/dichloroethane liquid–liquid interface. Molecular Physics 116 (21-22), pp. 3409 - 3416 (2018)

Liu, Z.; Timmermann, J.; Reuter, K.; Scheurer, C.: Benchmarks and Dielectric Constants for Reparametrized OPLS and Polarizable Force Field Models of Chlorinated Hydrocarbons. The Journal of Physical Chemistry B 122 (2), pp. 770 - 779 (2018)

Margraf, J. T.; Reuter, K.: Making the Coupled Cluster Correlation Energy Machine-Learnable. The Journal of Physical Chemistry A 122 (30), pp. 6343 - 6348 (2018)

Rötzer, M. D.; Krause, M.; Crampton, A. S.; Mitterreiter, E.; Heenen, H. H.; Schweinberger, F. F.; Reuter, K.; Heiz, U.: Surface chemistry of 1- and 3-Hexyne on Pt(111): desorption, decomposition and dehydrocyclization. The Journal of Physical Chemistry C 122 (8), pp. 4428 - 4436 (2018)

Schaub, T. A.; Margraf, J. T.; Zakharov, L.; Reuter, K.; Jasti,  . R.: Strain-Promoted Reactivity of Alkyne-Containing Cycloparaphenylenes. Angewandte Chemie International Edition 57 (50), pp. 16348 - 16353 (2018)

Schaub, T. A.; Margraf, J. T.; Zakharov, L.; Reuter, K.; Jasti,  . R.: Strain-Promoted Reactivity of Alkyne-Containing Cycloparaphenylenes. Angewandte Chemie 130 (50), pp. 1586 - 16591 (2018)

Schreiber, M. W.; Plaisance, C. P.; Baumgärtl, M.; Reuter, K.; Jentys, A.; Bermejo-Deval, R.; Lercher, J. A.: Lewis–Brønsted Acid Pairs in Ga/H-ZSM-5 To Catalyze Dehydrogenation of Light Alkanes. Journal of the American Chemical Society 140 (14), pp. 4849 - 4859 (2018)

Uphoff, M.; Michelitsch, G. S.; Hellwig, R.; Reuter, K.; Brune, H.; Klappenberger, F.; Barth, J. V.: Assembly of Robust Holmium-Directed 2D Metal–Organic Coordination Complexes and Networks on the Ag(100) Surface. ACS Nano 12 (11), pp. 11552 - 11560 (2018)

Yao, Z.; Reuter, K.: First-Principles Computational Screening of Dopants to Improve the Deacon Process over RuO₂. ChemCatChem 10 (2), pp. 465 - 469 (2018)

Andersen, M.; Medford, A. J.; Nørskov, J. K.; Reuter, K.: Scaling-Relation-Based Analysis of Bifunctional Catalysis: The Case for Homogeneous Bimetallic Alloys. ACS Catalysis 7 (6), pp. 3960 - 3967 (2017)

Andersena, M.; Plaisance, C. P.; Reuter, K.: Assessment of mean-field microkinetic models for CO methanation on stepped metal surfaces using accelerated kinetic Monte Carlo. The Journal of Chemical Physics 147 (15), 152705 (2017)

Bhattacharya, S.; Berger, D.; Reuter, K.; Ghiringhelli, L. M.; Levchenko, S. V.: Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces. Physical Review Materials 01 (07), 071601 (2017)

Bukas, V. J.; Reuter, K.: Phononic dissipation during “hot” adatom motion: A QM/Me study of O₂ dissociation at Pd surfaces. The Journal of Chemical Physics 146 (1), 014702 (2017)

Diller, K.; Maurer, R. J.; Müller, M.; Reuter, K.: Interpretation of x-ray absorption spectroscopy in the presence of surface hybridization. The Journal of Chemical Physics 146 (21), 214701 (2017)

Eckhard, J. F.; Neuwirth, D.; Panosetti, C.; Oberhofer, H.; Reuter, K.; Tschurl, M.; Heiz, U.: Consecutive reactions of small, free tantalum clusters with dioxygen controlled by relaxation dynamics. Physical Chemistry Chemical Physics 19 (8), pp. 5985 - 5993 (2017)

Heenen, H. H.; Scheurer, C.; Reuter, K.: Implications of Occupational Disorder on Ion Mobility in Li₄Ti₅O₁₂ Battery Materials. Nano Letters 17 (6), pp. 3884 - 3888 (2017)

Kalz, K. F.; Kraehnert, R.; Dvoyashkin, M.; Dittmeyer, R.; Gläser, R.; Krewer, U.; Reuter, K.; Grunwaldt, J.-D.: Future Challenges in Heterogeneous Catalysis: Understanding Catalysts under Dynamic Reaction Conditions. ChemCatChem 9 (1), pp. 17 - 29 (2017)

Lorenzi, J. M.; Stecher, T.; Reuter, K.; Matera, S.: Local-metrics error-based Shepard interpolation as surrogate for highly non-linear material models in high dimensions. The Journal of Chemical Physics 147 (16), 164106 (2017)

Medishetty, R.; Nalla, V.; Nemec, L.; Henke, S.; Mayer, D.; Sun, H.; Reuter, K.; Fischer, R. A.: A New Class of Lasing Materials: Intrinsic Stimulated Emission from Nonlinear Optically Active Metal–Organic Frameworks. Advanced Materials 29 (17), 1605637 (2017)

Medishetty, R.; Nemec, L.; Nalla, V.; Henke, S.; Samoć, M.; Reuter, K.; Fischer, R. A.: Multi-Photon Absorption in Metal–Organic Frameworks. Angewandte Chemie International Edition 56 (46), pp. 14743 - 14748 (2017)