Publications of Karsten Reuter
All genres
Journal Article (347)
2014
Journal Article
4 (11), pp. 4081 - 4092 (2014)
Predictive-Quality Surface Reaction Chemistry in Real Reactor Models: Integrating First-Principles Kinetic Monte Carlo Simulations into Computational Fluid Dynamics. ACS Catalysis
Journal Article
2 (2), pp. 1 - 13 (2014)
X-ray standing wave simulations based on Fourier vector analysis as a method to retrieve complex molecular adsorption geometries. Frontiers in Physics
Journal Article
53 (18), p. 4721 - 4721 (2014)
Modeling Heat Dissipation at the Nanoscale: An Embedding Approach for Chemical Reaction Dynamics on Metal Surfaces. Angewandte Chemie International Edition
Journal Article
126 (18), pp. 4813 - 4816 (2014)
Modellierung von Wärmedissipation auf der Nanoskala: ein Einbettungsansatz für chemische Reaktionen auf Metalloberflächen. Angewandte Chemie
Journal Article
141 (10), 104313 (2014)
Vibrational spectra and structures of bare and Xe-tagged cationic SinOm+ clusters. The Journal of Chemical Physics
Journal Article
5 (21), pp. 3859 - 3862 (2014)
Efficient Calculation of Microscopic Dissolution Rate Constants: The Aspirin–Water Interface. The Journal of Physical Chemistry Letters
Journal Article
141 (12), 124702 (2014)
Thermodynamics of surface defects at the aspirin/water interface. The Journal of Chemical Physics
Journal Article
90 (16), 165418 (2014)
Quantitative determination of a nano-object's atom density without atomic resolution. Physical Review B 2013
Journal Article
110 (11), 117601 (2013)
In Situ X-Ray Photoelectron Spectroscopy of Model Catalysts: At the Edge of the Gap. Physical Review Letters
Journal Article
227, pp. 1523 - 1542 (2013)
Ready, Set and no Action: A Static Perspective on Potential Energy Surfaces commonly used in Gas-Surface Dynamics. Zeitschrift für Physikalische Chemie
Journal Article
135 (11), pp. 4273 - 4281 (2013)
Coverage- and Temperature-Controlled Isomerization of an Imine Derivative on Au(111). Journal of the American Chemical Society
Journal Article
125 (42), pp. 11213 - 11216 (2013)
Broken Symmetry of an Adsorbed Molecular Switch Determined by Scanning Tunneling Spectroscopy. Angewandte Chemie
Journal Article
52 (42), pp. 11007 - 11010 (2013)
Broken Symmetry of an Adsorbed Molecular Switch Determined by Scanning Tunneling Spectroscopy. Angewandte Chemie International Edition
Journal Article
15 (11), 115004 (2013)
Computational screening study towards redox-active metal-organic frameworks. New Journal of Physics
Journal Article
139 (1), 014708 (2013)
Excited-state potential-energy surfaces of metal-adsorbed organic molecules from linear expansion Δ-self-consistent field density-functional theory (ΔSCF-DFT). The Journal of Chemical Physics
Journal Article
88 (3), 035421 (2013)
Quantification of finite-temperature effects on adsorption geometries of π-conjugated molecules: Azobenzene/Ag(111). Physical Review B
Journal Article
139 (4), 044710 (2013)
First-principles thermodynamic screening approach to photo-catalytic water splitting with co-catalysts. The Journal of Chemical Physics
Journal Article
7 (2), pp. 1763 - 1768 (2013)
MSi20H20 Aggregates: From Simple Building Blocks to Highly Magnetic Functionalized Materials. ACS Nano
Journal Article
117 (31), pp. 16182 - 16186 (2013)
Multidoping of Si Cages: High Spin States beyond the Single-Dopant Septet Limit. The Journal of Physical Chemistry C
Journal Article
52 (45), pp. 11925 - 11929 (2013)
Chemical Activity of Thin Oxide Layers: Strong Interactions with the Support Yield a New Thin-Film Phase of ZnO. Angewandte Chemie International Edition