Department Chemie und Pharmazie

Progress towards a "next generation" NDDO-based semiempirical technique. (2002) Clark T, Winget P, Horn A, Martin B Journal article Stepdance on a pentagon. (2002) Zeller M, Zenneck U, Pritzkow H, Heinemann FW Journal article Metal- and ligand-directed one-pot syntheses, crystal structures, and properties of novel oxo-centered tetra- and hexametallic clusters. (2002) Saalfrank RW, Reimann U, Göritz M, Hampel F, Scheurer A, Heinemann FW, Büschel M, et al. Journal article Descriptors, physical properties, and drug-likeness (2002) Brüstle M, Beck B, Schindler T, King W, Clark T Journal article Can bridged 1,6-X-[10]annulenes (X = SiH2, SiMe2, PH, and S) exist? (2002) Jiao H, van Eikema Hommes N, Schleyer P Journal article Nature of the interaction of paramagnetic atoms (A=N-4,P-4,O-3,S-3) with pi systems and C-60: A theoretical investigation of A center dot center dot center dot C6H6 and endohedral fullerenes A@C-60 (2002) Clark T Journal article Intramolecular Reactivity of Pi-Coordinated P-Heterocycles: How to Form Five-Membered Rings out of Phosphaalkynes (2002) Clark T, Binger P, Heinemann FW, Hennemann M, Pritzkow H, Toepffer C, Zenneck U Journal article Nanofacet-resolved CO oxidation kinetics on alumina- supported Pd particles (2002) Libuda J Journal article Ionized bicyclo[2.2.2]oct-2-ene: A twisted olefinic radical cation showing vibronic coupling (2002) Clark T Journal article (NEt(4))(2)[Fe(CN)(2)(CO)('S(3)')]: an iron thiolate complex modeling the [Fe(CN)(2)(CO)(S-Cys)(2)] site of [NiFe] hydrogenase centers. (2002) Sellmann D, Geipel F, Heinemann FW Journal article