Department Chemie und Pharmazie

A combined semiempirical MO neural net technique for estimating C-13 chemical shifts (1995) Clark T, Rauhut G, Breindl A Journal article Hardness of molecules and the band gap of solids within the Kohn-Sham formalism: A perturbation-scaling approach (1995) Görling A, Levy M Journal article, Original article Ultrathin films of Pt on TiO2(110): Growth and chemisorption-induced surfactant effects (1995) Steinrück HP, Pesty F, Zhang L, Madey TE Journal article, Original article DFT Ionization Formulas and a DFT Perturbation Theory for Exchange and Correlation - Through Adiabatic Connection (1995) Görling A, Levy M Journal article Correlation-energy density-functional formulas from correlating first-order density matrices (1995) Levy M, Görling A Journal article, Original article One-dimensional band structures: Rare gases on Pt(110)1×2 (1995) Weinelt M, Trischberger P, Widdra W, Eberle K, Zebisch P, Gokhale S, Menzel D, et al. Journal article The transannular bond in [5,6]-NCO2R-bridged monoadducts of [60]fullerene is open (1995) Schick G, Grösser T, Hirsch A Journal article, Original article A green fullerene: Synthesis and electrochemistry of a Diels-Alder adduct of [60]fullerene with a phthalocyanine (1995) Linßen T, Dürr K, Hanack M, Hirsch A Journal article, Original article C59N+ and C69N+: Isoelectronic heteroanalogues of C60 and C70 (1995) Lamparth I, Nuber B, Schick G, Skiebe A, Grösser T, Hirsch A Journal article, Original article A detailed study of VESPA electrostatic potential-derived atomic charges (1995) Beck B, Clark T, Glen R Journal article