Lehrstuhl für Theoretische Chemie

Density functional calculations and IR reflection absorption spectroscopy on the interaction of SO2 with oxide-supported Pd nanoparticles (2010) Luckas N, Vines Solana F, Happel M, Desikusumastuti A, Libuda J, Görling A Journal article, Original article Ordering aspects and intramolecular conformation of tetraphenylporphyrins on Ag(111) (2010) Buchner F, Kellner I, Hieringer W, Görling A, Steinrück HP, Marbach H Journal article Assignment of near-edge x-ray absorption fine structure spectra of metalloporphyrins by means of time-dependent density-functional calculations (2010) Schmidt NA, Fink R, Hieringer W Journal article, Original article Laser-induced fluorescence of rhodamine 6G cations in the gas phase: A lower bound to the lifetime of the first triplet state (2010) Kordel M, Schooss D, Neiß C, Walter L, Kappes MM Journal article, Original article Molecular excitation spectra by TDDFT with the nonadiabatic exact exchange kernel (2010) Ipatov A, Heßelmann A, Görling A Journal article, Original article 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