Lehrstuhl für Theoretische Chemie

[Ru(HNO)('py^bu^S_4_')], the first HNO complex resulting from hydride addition to a NO Complex ('py^bu^S_4_^'2-^ = 2,6-Bis(2-mercapto-3,5-di-tert-butylphenylthio)dimethylpyridine(2-)) (2001) Sellmann D, Gottschalk-Gaudig T, Häußinger D, Heinemann FW, Heß BA Journal article Synthesis, reactivity, and structure of strictly homologous 18 and 19 valence electron iron nitrosyl complexes. (2001) Sellmann D, Heinemann FW, Heß BA Journal article Efficient localized Hartree-Fock methods as effective exact-exchange Kohn-Sham methods for molecules (2001) Della Sala F, Görling A Journal article, Original article The role of exchange and correlation in time-dependent density-functional theory for photoionization (2001) Stener M, Decleva P, Görling A Journal article, Original article Transition Metal Complexes with Sulfur Ligands. Part 147. Synthesis, reactivity and structure of strictly homologous 18 and 19 valence electron iron nitrosyl complexes (2001) Sellmann D, Blum N, Heinemann FW, Heß BA Journal article Excitation energies of terthiophene and its dioxide derivative: A first-principles study (2001) Della Sala F, Heinze H, Görling A Journal article, Original article On the band gap in peptide alpha-helices (2000) Herz T, Otto P, Clark T Journal article Adiabatic perturbation theory for Van der Waals coefficients (2000) Görling A, Heinze H, Levy M Journal article, Original article Excitation energies of dissociating H2: A problematic case for the adiabatic approximation of time-dependent density functional theory (2000) Gritsenko O, Van Gisbergen S, Görling A, Baerends EJ Journal article, Original article Proper treatment of symmetries and excited states in a computationally tractable Kohn-Sham method (2000) Görling A Journal article, Original article