Publications of Karsten Reuter
All genres
Journal Article (346)
2014
Journal Article
, , , K. Reuter and : Scorpionate-Type Coordination in MFU-4l Metal–Organic Frameworks: Small-Molecule Binding and Activation upon the Thermally Activated Formation of Open Metal Sites. Angewandte Chemie 126 (23), 5942–5946 (2014).
Journal Article
and K. Reuter: Modeling Heat Dissipation at the Nanoscale: An Embedding Approach for Chemical Reaction Dynamics on Metal Surfaces. Angewandte Chemie International Edition 53 (18), 4721–4721 (2014).
Journal Article
and K. Reuter: Modellierung von Wärmedissipation auf der Nanoskala: ein Einbettungsansatz für chemische Reaktionen auf Metalloberflächen. Angewandte Chemie 126 (18), 4813–4816 (2014).
Journal Article
, , , and K. Reuter: Role of Physisorption States in Molecular Scattering: A Semilocal Density-Functional Theory Study on O2/Ag(111). Physical Review Letters 112 (15), 156101 (2014).
Journal Article
and K. Reuter: CO Oxidation on Pd(100) Versus PdO(101)-(5–√×5–√)R27∘: First-Principles Kinetic Phase Diagrams and Bistability Conditions. Topics in Catalysis 57 (1-4), 159–170 (2014).
Journal Article
, , , , , , , K. Reuter and : X-ray standing wave simulations based on Fourier vector analysis as a method to retrieve complex molecular adsorption geometries. Frontiers in Physics 2 (2), 1–13 (2014).
Journal Article
, , K. Reuter, and : Long-Range Periodicity of S/Au(111) Structures at Low and Intermediate Coverages. The Journal of Physical Chemistry C 118 (1), 290–297 (2014).
2013
Journal Article
, , and K. Reuter: Computational screening study towards redox-active metal-organic frameworks. New Journal of Physics 15 (11), 115004 (2013).
Journal Article
, , , , , , K. Reuter and : Chemical Activity of Thin Oxide Layers: Strong Interactions with the Support Yield a New Thin-Film Phase of ZnO. Angewandte Chemie International Edition 52 (45), 11925–11929 (2013).
Journal Article
, , , , , , K. Reuter and : Chemische Aktivität von dünnen Oxidschichten: Starke Träger- Wechselwirkungen ergeben eine neue ZnO-Dünnfilmphase. Angewandte Chemie 125 (45), 12143–12147 (2013).
Journal Article
, , D. Rosenthal and K. Reuter: Exploring Pretreatment–Morphology Relationships: Ab Initio Wulff Construction for RuO2 Nanoparticles under Oxidising Condition. ChemCatChem 5 (11), 3398–3403 (2013).
Journal Article
, , , , , K. Reuter and : Broken Symmetry of an Adsorbed Molecular Switch Determined by Scanning Tunneling Spectroscopy. Angewandte Chemie 125 (42), 11213–11216 (2013).
Journal Article
, , , , , K. Reuter and : Broken Symmetry of an Adsorbed Molecular Switch Determined by Scanning Tunneling Spectroscopy. Angewandte Chemie International Edition 52 (42), 11007–11010 (2013).
Journal Article
, and K. Reuter: Multidoping of Si Cages: High Spin States beyond the Single-Dopant Septet Limit. The Journal of Physical Chemistry C 117 (31), 16182–16186 (2013).
Journal Article
, , and K. Reuter: Ready, Set and no Action: A Static Perspective on Potential Energy Surfaces commonly used in Gas-Surface Dynamics. Zeitschrift für Physikalische Chemie 227, 1523–1542 (2013).
Journal Article
, , W. Liu, , , , , A. Tkatchenko, , K. Reuter and : Quantification of finite-temperature effects on adsorption geometries of π-conjugated molecules: Azobenzene/Ag(111). Physical Review B 88 (3), 035421 (2013).
Journal Article
, , , , , , , , K. Reuter and : Adsorption structure determination of a large polyaromatic trithiolate on Cu(111): combination of LEED-I(V) and DFT-vdW. Physical Chemistry Chemical Physics 15 (26), 11054–11060 (2013).
Journal Article
and K. Reuter: 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 139 (1), 014708 (2013).
Journal Article
and K. Reuter: First-principles thermodynamic screening approach to photo-catalytic water splitting with co-catalysts. The Journal of Chemical Physics 139 (4), 044710 (2013).