Lehrstuhl für Theoretische Chemie

Motif Reconstruction in Clusters and Layers: Benchmarks for the Kawska-Zahn Approach to Model Crystal Formation (2010) Milek T, Duchstein P, Seifert G, Zahn D Journal article Random phase approximation correlation energies with exact Kohn-Sham exchange (2010) Heßelmann A, Görling A Journal article, Original article Molecular wires in single-molecule junctions: Charge transport and vibrational excitations (2010) Ballmann S, Hieringer W, Secker D, Zheng Q, Gladysz JA, Görling A, Weber HB Journal article, Original article Hyperfine coupling constants of the nitrogen and phosphorus atoms: A challenge for exact-exchange density-functional and post-Hartree-Fock methods (2010) Kaupp M, Arbuznikov AV, Heßelmann A, Görling A Journal article, Original article Extension of exact-exchange density functional theory of solids to finite temperatures (2010) Greiner M, Carrier P, Görling A Journal article, Original article 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