Publications of Karsten Reuter
All genres
Journal Article (318)
241.
Journal Article
E.R. McNellis, , , , , J. Meyer, M. Wolf, , and K. Reuter: Structure and energetics of azobenzene at Ag(111): Benchmarking semiempirical dispersion correction approaches. Physical Review Letters 104 (03), 036102 (2010).
, 242.
Journal Article
K. Reuter and : Signatures of nonadiabatic O2 dissociation at Al(111): First-principles fewest-switches study. Physical Review B 81 (3), 035410 (2010).
, , 243.
244.
Journal Article
Y. Zhang, W.-B. Zhang and K. Reuter: Oxygen adsorption on stepped Pd(100) surfaces. Surface science 604, 1813–1819 (2010).
, , , , 245.
Journal Article
Matera, S. and K. Reuter: Transport limitations and bistability for in situ CO oxidation at RuO2(110): First-principles based multiscale modeling. Physical Review B 82 (08), 085446 (2010).
246.
Journal Article
McNellis, E.R., J. Meyer and K. Reuter: Azobenzene at coinage metal surfaces: Role of dispersive van der Waals interactions. Physical Review B 80 (20), 205414 (2009).
247.
Journal Article
Matera, S. and K. Reuter: First-principles approach to heat and mass transfer effects in model catalyst studies. Catalysis Letters 133 (1-2), 156–159 (2009).
248.
Journal Article
A. Michaelides, , K. Reuter, , , M. Scheffler and : Experimental and theoretical study of oxygen adsorption structures on Ag(111). Physical Review B 80 (7), 075424 (2009).
, , , 249.
Journal Article
McNellis, E., J. Meyer, A.D. Baghi and K. Reuter: Stabilizing a molecular switch at solid surfaces: A density functional theory study of azobenzene at Cu(111), Ag(111), and Au(111). Physical Review B 80 (3), 035414–1-035414–10 (2009).
250.
251.
Journal Article
Froltsov, V.A. and K. Reuter: Robustness of 'cut and splice' genetic algorithms in the structural optimization of atomic clusters. Chemical Physics Letters 473, 363–366 (2009).
252.
253.
Journal Article
Gehrke, R. and K. Reuter: Assessing the efficiency of first-principles basin-hopping sampling. Physical Review B 79 (8), 085412–1-085412–10 (2009).
254.
Journal Article
Gehrke, R., P. Gruene, A. Fielicke, G. Meijer and K. Reuter: Nature of Ar bonding to small Co+n clusters and its effect on the structure determination by far-infrared absorption spectroscopy. Journal of Chemical Physics 130 (3), 034306 (2009).
255.
Journal Article
Meskine, H., S. Matera, M. Scheffler, K. Reuter and H. Metiu: Examination of the concept of degree of rate control by first-principles kinetic Monte Carlo simulations. Surface Science 603 (10-12), 1724–1730 (2009).
256.
257.
Journal Article
K. Reuter: Fingerprints for spin-selection rules in the interaction dynamics of O2 at Al(111). Physical Review Letters 101 (9), 096104 (2008).
, , and 258.
Journal Article
Rogal, J., K. Reuter and M. Scheffler: CO oxidation on Pd(100) at technologically relevant pressure conditions: First-principles kinetic Monte Carlo study. Physical Review B 77 (15), 155410–1-155410–12 (2008).
259.
Journal Article
Behler, J., K. Reuter and M. Scheffler: Nonadiabatic effects in the dissociation of oxygen molecules at the Al(111) surface. Physical Review B 77 (11), 115421–1-115421–16 (2008).
260.
Journal Article
Kitchin, J.R., K. Reuter and M. Scheffler: Alloy surface segregation in reactive environments: First-principles atomistic thermodynamics study of Ag3Pd(111) in oxygen atmospheres. Physical Review B 77 (7), 075437–1-075437–12 (2008).