Publications of Karsten Reuter

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Meyer, Jörg and Karsten Reuter: Modellierung von Wärmedissipation auf der Nanoskala: ein Einbettungsansatz für chemische Reaktionen auf Metalloberflächen.

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Savoca, Marco, Judith Langer, Dan J. Harding, Dennis Palagin, Karsten Reuter, Otto Dopfer and André Fielicke: Vibrational spectra and structures of bare and Xe-tagged cationic Si_nO_m⁺ clusters.

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Schneider, Julian and Karsten Reuter: Efficient Calculation of Microscopic Dissolution Rate Constants: The Aspirin–Water Interface.

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Schneider, Julian, Chen Zheng and Karsten Reuter: Thermodynamics of surface defects at the aspirin/water interface.

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Zaum, Christopher, Jörg Meyer, Karsten Reuter and Karina Morgenstern: Quantitative determination of a nano-object's atom density without atomic resolution.

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2013

Journal Article

Blomberg, S., M.J. Hoffmann, J. Gustafson, N.M. Martin, V.R. Fernandes, A. Borg, Z. Liu, R. Chang, S. Matera, Karsten Reuter and E. Lundgren: In Situ X-Ray Photoelectron Spectroscopy of Model Catalysts: At the Edge of the Gap.

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Bukas, Vanessa Jane, Jörg Meyer, Maite Alducin and Karsten Reuter: Ready, Set and no Action: A Static Perspective on Potential Energy Surfaces commonly used in Gas-Surface Dynamics.

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Gahl, Cornelius, Daniel Brete, Felix Leyssner, Matthias Koch, Erik R. McNellis, Johannes Mielke, Robert Carley, Leonhard Grill, Karsten Reuter, Petra Tegeder and Martin Weinelt: Coverage- and Temperature-Controlled Isomerization of an Imine Derivative on Au(111).

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Gopakumar, Thiruvancheril G., Tugba Davran-Candan, Julia Bahrenburg, Reinhard J. Maurer, Friedrich Temps, Karsten Reuter and Richard Berndt: Broken Symmetry of an Adsorbed Molecular Switch Determined by Scanning Tunneling Spectroscopy.

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Gopakumar, Thiruvancheril G., Tugba Davran-Candan, Julia Bahrenburg, Reinhard J. Maurer, Friedrich Temps, Karsten Reuter and Richard Berndt: Broken Symmetry of an Adsorbed Molecular Switch Determined by Scanning Tunneling Spectroscopy.

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Jelic, Jelena, Dmytro Denysenko, Dirk Volkmer and Karsten Reuter: Computational screening study towards redox-active metal-organic frameworks.

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Maurer, Reinhard J. and Karsten Reuter: Excited-state potential-energy surfaces of metal-adsorbed organic molecules from linear expansion Δ-self-consistent field density-functional theory (ΔSCF-DFT).

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Mercurio, Giuseppe, R.J. Maurer, Wei Liu, S. Hagen, F. Leyssner, P. Tegeder, J. Meyer, Alexandre Tkatchenko, S. Soubatch, Karsten Reuter and F.S. Tautz: Quantification of finite-temperature effects on adsorption geometries of π-conjugated molecules: Azobenzene/Ag(111).

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Oberhofer, Harald and Karsten Reuter: First-principles thermodynamic screening approach to photo-catalytic water splitting with co-catalysts.

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Palagin, Dennis and Karsten Reuter: MSi₂₀H₂₀ Aggregates: From Simple Building Blocks to Highly Magnetic Functionalized Materials.

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Palagin, Dennis, Tobias Teufl and Karsten Reuter: Multidoping of Si Cages: High Spin States beyond the Single-Dopant Septet Limit.

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Schott, Vadim, Harald Oberhofer, Alexander Birkner, Mingchun Xu, Yuemin Wang, Martin Muhler, Karsten Reuter and Christof Wöll: Chemical Activity of Thin Oxide Layers: Strong Interactions with the Support Yield a New Thin-Film Phase of ZnO.

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Schott, Vadim, Harald Oberhofer, Alexander Birkner, Mingchun Xu, Yuemin Wang, Martin Muhler, Karsten Reuter and Christof Wöll: Chemische Aktivität von dünnen Oxidschichten: Starke Träger- Wechselwirkungen ergeben eine neue ZnO-Dünnfilmphase.

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Sirtl, Thomas, Jelena Jelic, Jörg Meyer, Kalpataru Das, Wolfgang M. Heckl, Wolfgang Moritz, John Rundgren, Michael Schmittel, Karsten Reuter and Markus Lackinger: Adsorption structure determination of a large polyaromatic trithiolate on Cu(111): combination of LEED-I(V) and DFT-vdW.

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