Publikationen von Karsten Reuter

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Medishetty, R., L. Nemec, V. Nalla, S. Henke, M. Samoć, K. Reuter und R.A. Fischer: Multiphotonenabsorption in Metall-organischen Gerüstverbindungen. Angewandte Chemie 129 (46), 14938–14943 (2017).