Publications of Karsten Reuter

Journal Article (348)

2019
Journal Article
H.H. Heenen, J. Voss, C. Scheurer, K. Reuter and A.C. Luntz: Multi-Ion Conduction in Li3OCl Glass Electrolytes. The Journal of Physical Chemistry Letters 10 (9), 2264–2269 (2019).
Journal Article
S. Laha, Y. Lee, F. Podjaski, D. Weber, V. Duppel, L.M. Schoop, F. Pielnhofer, C. Scheurer, K. Müller, U. Starke, K. Reuter and B.V. Lotsch: Ruthenium Oxide Nanosheets for Enhanced Oxygen Evolution Catalysis in Acidic Medium. Advanced Energy Materials 9 (15), 1803795 (2019).
Journal Article
M. Andersen, C. Panosetti and K. Reuter: A Practical Guide to Surface Kinetic Monte Carlo Simulations. Frontiers in Chemistry 7 (4), 202 (2019).
Journal Article
P.J. Blowey, R.J. Maurer, L.A. Rochford, D.A. Duncan, J.-H. Kang, D.A. Warr, A.J. Ramadan, T.-L. Lee, P.K. Thakur, G. Costantini, K. Reuter and D.P. Woodruff: The Structure of VOPc on Cu(111): Does V=O Point Up, or Down, or Both? The Journal of Physical Chemistry C 123 (13), 8101–8111 (2019).
Journal Article
C.P. Plaisance, S.D. Beinlich and K. Reuter: Kinetics-Based Computational Catalyst Design Strategy for the Oxygen Evolution Reaction on Transition-Metal Oxide Surfaces. Journal of Physical Chemistry C 123 (13), 8287–8303 (2019).
Journal Article
C. Kunkel, C. Schober, H. Oberhofer and K. Reuter: Knowledge discovery through chemical space networks: the case of organic electronics. Journal of Molecular Modeling 25 (4), 87 (2019).
Journal Article
M. Kick, K. Reuter and H. Oberhofer: Intricacies of DFT+U, not only in a Numeric Atom Centered Orbital Framework. Journal of Chemical Theory and Computation 15 (3), 1705–1718 (2019).
Journal Article
J.T. Margraf and K. Reuter: Systematic Enumeration of Elementary Reaction Steps in Surface Catalysis. ACS Omega 4 (2), 3370–3379 (2019).
Journal Article
G.S. Michelitsch and K. Reuter: Efficient simulation of near-edge x-ray absorption fine structure (NEXAFS) in density-functional theory: Comparison of core-level constraining approaches. The Journal of Chemical Physics 150 (7), 074104 (2019).
Journal Article
M. Andersen, S.V. Levchenko, M. Scheffler and K. Reuter: Beyond Scaling Relations for the Description of Catalytic Materials. ACS Catalysis 9 (4), 2752–2759 (2019).
Journal Article
C. Kunkel, C. Schober, J.T. Margraf, K. Reuter and H. Oberhofer: Finding the Right Bricks for Molecular Legos: A Data Mining Approach to Organic Semiconductor Design. Chemistry of Materials 31 (3), 969–978 (2019).
Journal Article
R.J. Maurer and K. Reuter: Computational design of metal-supported molecular switches: transient ion formation during light- and electron-induced isomerisation of azobenzene. Journal of Physics: Condensed Matter 31 (4), 044003 (2019).
Journal Article
C. Hille, S. Ringe, M. Deimel, C. Kunkel, W.E. Acree, K. Reuter and H. Oberhofer: Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme. The Journal of Chemical Physics 150 (4), 041710 (2019).
Journal Article
T. Lian, M.T.M. Koper, K. Reuter and J.E. Subotnik: Special Topic on Interfacial Electrochemistry and (Photo)electrocatalysis. The Journal of Chemical Physics 150 (4), 041401 (2019).
2018
Journal Article
T.A. Schaub, J.T. Margraf, L. Zakharov, K. Reuter and   R. Jasti: Strain-Promoted Reactivity of Alkyne-Containing Cycloparaphenylenes. Angewandte Chemie International Edition 57 (50), 16348–16353 (2018).
Journal Article
T.A. Schaub, J.T. Margraf, L. Zakharov, K. Reuter and   R. Jasti: Strain-Promoted Reactivity of Alkyne-Containing Cycloparaphenylenes. Angewandte Chemie 130 (50), 1586–16591 (2018).
Journal Article
S.S. Köcher, P.P.M. Schlecker, M.F. Graf, R.-A. Eichel, K. Reuter, J. Granwehr and C. Scheurer: Chemical shift reference scale for Li solid state NMR derived by first-principles DFT calculations. Journal of Magnetic Resonance 297, 33–41 (2018).
Journal Article
M. Uphoff, G.S. Michelitsch, R. Hellwig, K. Reuter, H. Brune, F. Klappenberger and 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).
Journal Article
Z. Liu, T. Stecher, H. Oberhofer, K. Reuter and C. Scheurer: Response properties at the dynamic water/dichloroethane liquid–liquid interface. Molecular Physics 116 (21-22), 3409–3416 (2018).
Journal Article
J.T. Margraf and K. Reuter: Making the Coupled Cluster Correlation Energy Machine-Learnable. The Journal of Physical Chemistry A 122 (30), 6343–6348 (2018).
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