Publications of Karsten Reuter
All genres
Journal Article (345)
2009
Journal Article
Meskine, Hakim, Sebastian Matera, Matthias Scheffler, Karsten Reuter and Horia Metiu: Examination of the concept of degree of rate control by first-principles kinetic Monte Carlo simulations.
Journal Article
, , , Angelos Michaelides, , Karsten Reuter, , , Matthias Scheffler and : Experimental and theoretical study of oxygen adsorption structures on Ag(111).
2008
Journal Article
Behler, Jörg, Karsten Reuter and Matthias Scheffler: Nonadiabatic effects in the dissociation of oxygen molecules at the Al(111) surface.
Journal Article
, , and Karsten Reuter: Fingerprints for spin-selection rules in the interaction dynamics of O2 at Al(111).
Journal Article
Kitchin, John R., Karsten Reuter and Matthias Scheffler: Alloy surface segregation in reactive environments: First-principles atomistic thermodynamics study of Ag3Pd(111) in oxygen atmospheres.
Journal Article
Rieger, Michael, Jutta Rogal and Karsten Reuter: Effect of surface nanostructure on temperature programmed reaction spectroscopy: First-principles kinetic Monte Carlo simulations of CO oxidation at RuO2(110).
Journal Article
Rogal, Jutta, Karsten Reuter and Matthias Scheffler: CO oxidation on Pd(100) at technologically relevant pressure conditions: First-principles kinetic Monte Carlo study.
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.