Publications of Karsten Reuter
All genres
Journal Article (318)
2010
Journal Article
Matera, Sebastian and Karsten Reuter: Transport limitations and bistability for in situ CO oxidation at RuO2(110): First-principles based multiscale modeling.
Journal Article
McNellis, Erik R., , Jörg Meyer, , and Karsten Reuter: Azobenzene versus 3,3,5,5-tetra-tert-butyl-azobenzene (TBA) at Au(111): characterizing the role of spacer groups.
Journal Article
McNellis, Erik R., , Sebastian Hagen, , Jörg Meyer, , Martin Wolf, Karsten Reuter, and : Bulky spacer groups – A valid strategy to control the coupling of functional molecules to surfaces?
Journal Article
, Erik R. McNellis, , , , , Jörg Meyer, Martin Wolf, , and Karsten Reuter: Structure and energetics of azobenzene at Ag(111): Benchmarking semiempirical dispersion correction approaches.
Journal Article
, Matthias Gramzow, , , , Karsten Reuter and : Structural metastability of endohedral silicon fullerenes.
2009
Journal Article
Blum, Volker, Ralf Gehrke, Felix Hanke, Paula Havu, Ville Havu, Xingou Ren, Karsten Reuter and Matthias Scheffler: Ab initio molecular simulations with numeric atom-centered orbitals.
Journal Article
Froltsov, Vladimir A. and Karsten Reuter: Robustness of 'cut and splice' genetic algorithms in the structural optimization of atomic clusters.
Journal Article
Gehrke, Ralf, Philipp Gruene, André Fielicke, Gerard Meijer and Karsten Reuter: Nature of Ar bonding to small Co+n clusters and its effect on the structure determination by far-infrared absorption spectroscopy.
Journal Article
Gehrke, Ralf and Karsten Reuter: Assessing the efficiency of first-principles basin-hopping sampling.
Journal Article
, Yongsheng Zhang, , , , D. Menzel and Karsten Reuter: O- and H-induced surface core level shifts on Ru(0001): prevalence of the additivity rule.
Journal Article
Matera, Sebastian and Karsten Reuter: First-principles approach to heat and mass transfer effects in model catalyst studies.
Journal Article
McNellis, Erik, Jörg Meyer, Abbas Dehghan Baghi and Karsten Reuter: Stabilizing a molecular switch at solid surfaces: A density functional theory study of azobenzene at Cu(111), Ag(111), and Au(111).
Journal Article
McNellis, Erik R., Jörg Meyer and Karsten Reuter: Azobenzene at coinage metal surfaces: Role of dispersive van der Waals interactions.
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.