Publications of Karsten Reuter
All genres
Journal Article (346)
2018
Journal Article
, , , , , , K. Reuter, , , , and : The influence of conjugated alkynyl(aryl) surface groups on the optical properties of silicon nanocrystals: photoluminescence through in-gap states. Nanotechnology 29 (35), 355705 (2018).
Journal Article
, , , , K. Reuter and : Atomic scale switches based on self-assembled surface magic clusters. Applied Physics Letters 112 (25), 253103 (2018).
Journal Article
, , , K. Reuter, , and : 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).
Journal Article
, , , , and K. Reuter: Infrared Reflection–Absorption Spectroscopy and Density Functional Theory Investigations of Ultrathin ZnO Films Formed on Ag(111). Journal of Physical Chemistry C 122 (9), 4963–4971 (2018).
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, , , , , , K. Reuter and : 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).
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and K. Reuter: First-Principles Computational Screening of Dopants to Improve the Deacon Process over RuO2. ChemCatChem 10 (2), 465–469 (2018).
Journal Article
, , , K. Reuter, and : Addressing global uncertainty and sensitivity in first-principles based microkinetic models by an adaptive sparse grid approach. The Journal of Chemical Physics 148 (3), 034102 (2018).
Journal Article
, , K. Reuter and : 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).
2017
Journal Article
, and K. Reuter: Energy dissipation at metal surfaces. Advances in Physics: X 3 (1), 1381574 (2017).
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, , K. Reuter, L.M. Ghiringhelli and S.V. Levchenko: Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces. Physical Review Materials 01 (07), 071601 (2017).
Journal Article
, , , , K. Reuter and : Efficient Implicit Solvation Method for Full Potential DFT. Journal of Chemical Theory and Computation 13 (11), 5582–5603 (2017).
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, , , , , K. Reuter and : Multi-Photon Absorption in Metal–Organic Frameworks. Angewandte Chemie International Edition 56 (46), 14743–14748 (2017).
Journal Article
, , , , , K. Reuter and : Multiphotonenabsorption in Metall-organischen Gerüstverbindungen. Angewandte Chemie 129 (46), 14938–14943 (2017).
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, , K. Reuter and : 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).
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, and K. Reuter: Nonadiabatic Vibrational Damping of Molecular Adsorbates: Insights into Electronic Friction and the Role of Electronic Coherence. Physical Review Letters 119 (17), 176808 (2017).
Journal Article
, and 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).
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, K. Reuter and : Charge Transport in Molecular Materials: An Assessment of Computational Methods. Chemical Reviews 117 (15), 10319–10357 (2017).
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, and K. Reuter: Constrained-Orbital Density Functional Theory. Computational Method and Applications to Surface Chemical Processes. Journal of Chemical Theory and Computation 13 (8), 3561–3574 (2017).
Journal Article
, and K. Reuter: Implications of Occupational Disorder on Ion Mobility in Li4Ti5O12 Battery Materials. Nano Letters 17 (6), 3884–3888 (2017).
Journal Article
, , and K. Reuter: Interpretation of x-ray absorption spectroscopy in the presence of surface hybridization. The Journal of Chemical Physics 146 (21), 214701 (2017).