Lehrstuhl für Theoretische Chemie

Local exact exchange potentials within the all-electron FLAPW method and a comparison with pseudopotential results (2011) Betzinger M, Friedrich C, Bluegel S, Görling A Journal article, Original article Correct description of the bond dissociation limit without breaking spin symmetry by a random-phase-approximation correlation functional (2011) Heßelmann A, Görling A Journal article, Original article Efficient exact-exchange time-dependent density-functional theory methods and their relation to time-dependent Hartree-Fock (2011) Heßelmann A, Görling A Journal article, Original article Template-assisted formation of fullerenes from short-chain hydrocarbons by supported platinum nanoparticles (2011) Vines Solana F, Görling A Journal article, Original article SO2 adsorption on Pt(111) and oxygen precovered Pt(111): A combined infrared reflection absorption spectroscopy and density functional study (2011) Happel M, Luckas N, Vines Solana F, Sobota M, Laurin M, Görling A, Libuda J Journal article, Original article Ethene-induced temporary inhibition of grubbs metathesis catalysts (2011) Scholz J, Loekman S, Szesni N, Hieringer W, Görling A, Haumann M, Wasserscheid P Journal article, Original article Bandgap engineering of graphene by physisorbed adsorbates (2011) Kozlov SM, Vines Solana F, Görling A Journal article, Original article Graphene on Ni(111): Coexistence of different surface structures (2011) Zhao W, Kozlov SM, Höfert O, Gotterbarm K, Lorenz MPA, Vines F, Papp C, et al. Journal article Electron-beam-induced deposition and post-treatment processes to locally generate clean titanium oxide nanostructures on Si(100) (2011) Schirmer M, Walz MM, Vollnhals F, Lukasczyk T, Sandmann A, Chen C, Steinrück HP, Marbach H Journal article Adsorption and reaction of terephthaloyl chloride on Ag(111): X-ray photoelectron spectroscopy and density functional theory investigations (2011) Schmid M, Hieringer W, Schmitz CH, Steinrück HP, Sokolowski M, Gottfried M Journal article