Publications of Karsten Reuter
All genres
Journal Article (346)
2013
Journal Article
, , , , , , , , , K. Reuter and : In Situ X-Ray Photoelectron Spectroscopy of Model Catalysts: At the Edge of the Gap. Physical Review Letters 110 (11), 117601 (2013).
Journal Article
and K. Reuter: MSi20H20 Aggregates: From Simple Building Blocks to Highly Magnetic Functionalized Materials. ACS Nano 7 (2), 1763–1768 (2013).
Journal Article
, , , , , , , K. Reuter and : Control of Intermolecular Bonds by Deposition Rates at Room Temperature: Hydrogen Bonds versus Metal Coordination in Trinitrile Monolayers. Journal of the American Chemical Society 135 (2), 691–695 (2013).
2012
Journal Article
and K. Reuter: Bistability Loss as a Key Feature in Azobenzene (Non-)Switching on Metal Surfaces. Angewandte Chemie 124 (48), 12175–12177 (2012).
Journal Article
and K. Reuter: Bistability Loss as a Key Feature in Azobenzene (Non-)Switching on Metal Surfaces. Angewandte Chemie International Edition 51 (48), 12009–12011 (2012).
Journal Article
and K. Reuter: When atomic-scale resolution is not enough: Spatial effects on in situ model catalyst studies. Journal of Catalysis 295, 261–268 (2012).
Journal Article
, , , , , K. Reuter, and : Mixed self-assembled monolayers of azobenzene photoswitches with trifluoromethyl and cyano end groups. Journal of Physics: Condensed Matter 24 (39), 394015 (2012).
Journal Article
, and K. Reuter: First-principles kinetic modeling in heterogeneous catalysis: an industrial perspective on best-practice, gaps and needs. Catalysis Science & Technology 2 (10), 2010–2024 (2012).
Journal Article
and K. Reuter: Evaluation of endohedral doping of hydrogenated Si fullerenes as a route to magnetic Si building blocks. Physical Review B 86 (4), 045416 (2012).
Journal Article
and K. Reuter: Molecular-level understanding of WGS and reverse WGS reactions on Rh through hierarchical multiscale approach. Chemical Engineering Science 74, 296–299 (2012).
Journal Article
X. Ren, P. Rinke, V. Blum, J. Wieferink, A. Tkatchenko, A.G. Sanfilippo, K. Reuter and M. Scheffler: Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions. New Journal of Physics 14 (5), 053020 (2012).
Journal Article
, , , , , , , K. Reuter and : Reversible gas-phase redox processes catalyzed by Co-exchanged MFU-4l(arge). Chemical Communications 48 (9), 1236–1238 (2012).
Journal Article
, J. Beltrán, J. Meyer, , and K. Reuter: Non-adiabatic effects during the dissociative adsorption of O2 at Ag(111)? A first-principles divide and conquer study. New Journal of Physics 14 (1), 013050 (2012).
2011
Journal Article
and K. Reuter: Assessing computationally efficient isomerization dynamics: ΔSCF density-functional theory study of azobenzene molecular switching. The Journal of Chemical Physics 135 (22), 224303 (2011).
Journal Article
, , , , , , , K. Reuter and : Theoretical study of the structure of self-assembled monolayers of short alkylthiolates on Au(111) and Ag(111): the role of induced substrate reconstruction and chain–chain interactions. Physical Chemistry Chemical Physics 13 (20), 9353–9362 (2011).
Journal Article
S. Matera, H. Meskine and K. Reuter: Adlayer inhomogeneity without lateral interactions: Rationalizing correlation effects in CO oxidation at RuO2(110) with first-principles kinetic Monte Carlo. The Journal of Chemical Physics 134, 064713 (2011).
Journal Article
, , , K. Reuter and : Structure of the methylthiolate monolayer on Ag (1 1 1): The role of substrate vacancies. Chemical Physics Letters 503 (1-3), 71–74 (2011).
Journal Article
M. Maestri and K. Reuter: Semiempirical Rate Constants for Complex Chemical Kinetics: First-Principles Assessment and Rational Refinement. Angewandte Chemie International Edition 50 (5), 1194–1197 (2011).
Journal Article
M. Maestri and K. Reuter: Semiempirical Rate Constants for Complex Chemical Kinetics: First-Principles Assessment and Rational Refinement. Angewandte Chemie 123 (5), 1226–1229 (2011).