Lehrstuhl für Theoretische Chemie

Density-functional theory with orbital- dependent functionals: Exact-exchange Kohn-Sham and density-functional response methods (2010) Görling A, Ipatov A, Götz A, Heßelmann A Journal article, Original article Toward ionic-liquid-based model catalysis: Growth, orientation, conformation, and interaction mechanism of the [Tf2N]- anion in [BMIM][Tf2N] thin films on a well-ordered alumina surface (2010) Sobota M, Nikiforidis I, Hieringer W, Paape N, Happel M, Steinrück HP, Görling A, et al. Journal article Methane activation by platinum: Critical role of edge and corner sites of metal nanoparticles (2010) Vines F, Lykhach Y, Staudt T, Lorenz MPA, Papp C, Steinrück HP, Libuda J, et al. Journal article, Original article Derivation of the dispersion energy as an explicit density- and exchange-hole functional (2009) Heßelmann A Journal article Symmetry-Adapted Perturbation Theory Applied to Endohedral Fullerene Complexes: A Stability Study of H2@C60 and 2H2@C60 (2009) Korona T, Heßelmann A, Dodziuk H Journal article Erratum: "Comparative study of the structures of copper, silver, and gold icosamers: Influence of metal type and charge state" [Journal of Chemical Physics (2008) 129 (154304)) (2009) Lechtken A, Neiß C, Stairs J, Schooss D Journal article, Erratum Blindness of the exact density response function to certain types of electronic excitations: Implications for time-dependent density-functional theory (2009) Heßelmann A, Görling A Journal article, Original article Carbon on platinum substrates: From carbidic to graphitic phases on the (111) surface and on nanoparticles (2009) Vines F, Neyman K, Görling A Journal article, Original article Structure determination of gold clusters by trapped ion electron diffraction: Au14 --Au19 - (2009) Lechtken A, Neiß C, Kappes MM, Schooss D Journal article, Original article Qualitatively correct charge-transfer excitation energies in HeH + by time-dependent density-functional theory due to exact exchange Kohn-Sham eigenvalue differences (2009) Gimon T, Ipatov A, Heßelmann A, Görling A Journal article, Original article