Publications of Karsten Reuter
All genres
Journal Article (318)
2008
Journal Article
, Erik McNellis, , , , , Karsten Reuter and : Azobenzene-functionalized alkanethiols in self-assembled monolayers on gold.
Journal Article
Zhang, Yongsheng and Karsten Reuter: First-principles statistical mechanics approach to step decoration at surfaces.
2007
Journal Article
Behler, Jörg, , Karsten Reuter and Matthias Scheffler: Nonadiabatic potential-energy surfaces by constrained density-functional theory.
Journal Article
Behler, Jörg, Sönke Lorenz and Karsten Reuter: Representing molecule-surface interactions with symmetry-adapted neural networks.
Journal Article
, , , Jörg Behler, , Karsten Reuter and : Spectral broadening due to the long-range Coulomb interactions in the molecular metal TTF-TCNQ.
Journal Article
Hu, Qing-Miao, Karsten Reuter and Matthias Scheffler: Erratum: Towards an exact treatment of exchange and correlation in materials: Application to the ``CO adsorption puzzle'' and other systems [Phys. Rev. Lett. 98, 176103 (2007)].
Journal Article
Hu, Qing-Miao, Karsten Reuter and Matthias Scheffler: Towards an exact treatment of exchange and correlation in materials: Application to the "CO adsorption puzzle" and other systems.
Journal Article
Reuter, Karsten and Matthias Scheffler: Erratum: Composition, structure, and stability of RuO2(110) as a function of oxygen pressure [Phys. Rev. B 65, 035406 (2001)].
Journal Article
Rogal, Jutta, Karsten Reuter and Matthias Scheffler: CO oxidation at Pd(100): A first-principles constrained thermodynamics study.
Journal Article
Rogal, Jutta, Karsten Reuter and Matthias Scheffler: First-principles statistical mechanics study of the stability of a subnanometer thin surface oxide in reactive environments: CO oxidation at Pd(100).
Journal Article
, Hakim Meskine, Karsten Reuter, Matthias Scheffler and Horia Metiu: Does phenomenological kinetics provide an adequate description of heterogeneous catalytic reactions?
Journal Article
Zhang, Yongsheng, Volker Blum and Karsten Reuter: Accuracy of first-principles lateral interactions: Oxygen at Pd(100).
2006
Journal Article
, , Jutta Rogal, Abir De Sarkar, Karsten Reuter and Matthias Scheffler: Comparison of the full-potential and frozen-core approximation approaches to density-functional calculations of surfaces.
Journal Article
Reuter, Karsten: Insight into a pressure and materials gap: CO oxidation at "Ruthenium" catalysts.
Journal Article
Reuter, Karsten and Matthias Scheffler: First-principles kinetic Monte Carlo simulations for heterogeneous catalysis: Application to the CO oxidation at RuO2(110).
Journal Article
, Angelos Michaelides, , , Karsten Reuter, , Matthias Scheffler and : Revisiting the structure of the p(4 x 4) surface oxide on Ag(111).
Journal Article
Zhang, Yongsheng, Jutta Rogal and Karsten Reuter: Density-functional theory investigation of oxygen adsorption at Pd(11N) vicinal surfaces (N=3,5,7): Influence of neighboring steps.
2005
Journal Article
Behler, Jörg, , Sönke Lorenz, Karsten Reuter and Matthias Scheffler: Dissociation of O2 at Al(111): The role of spin selection rules.
Journal Article
Michaelides, Angelos, Karsten Reuter and Matthias Scheffler: When seeing is not believing: Oxygen on Ag(111), a simple adsorption system?
Journal Article
Todorova, Mira, Karsten Reuter and Matthias Scheffler: Density-functional theory study of the initial oxygen incorporation in Pd(111).