Department Chemie und Pharmazie

The Journal of Molecular Modeling: Impact, expectations and experience (1998) Clark T, Roth H Journal article Novel nine-membered titanaheterocycles - Structure, ab initio calculations, and preparative use towards the selective synthesis of substituted cyclopentanols (1998) Hampel F, van Eikema Hommes N, Hoops S, Maaref F, Schobert R Journal article Weak M-H center dot center dot center dot H-C and M-Cl center dot center dot center dot H-C interactions in orthometalated iridium and rhodium complexes (1998) Huang LY, Aulwurm U, Heinemann FW, Knock F, Kisch H Journal article Buckminsterfullerene C-60: A chemical Faraday cage for atomic nitrogen (1998) Hirsch A, Mauser H, Dietel E, Pietzak B, Weidinger A, Gruss A, Dinse K Other publication type Activation of H2 at ruthenium-sulfur cores. (1998) Gottschalk-Gaudig T, Sellmann D, Heinemann FW Journal article Transition Metal Complexes with Sulfur Ligands. 130.(1) Synthesis, Structure, and Reactivity of the Sulfur-Rich Ruthenium Hydride Complexes [Ru(H)(PR(3))('S(4)')](-) and the eta(2)-H(2) Complex [Ru(H(2))(PCy(3))('S(4)')] (R = Ph, (i)Pr, Cy; 'S(4)'(2-) = 1,2-Bis((2-mercaptophenyl)thio)ethane(2-)). (1998) Sellmann D, Gottschalk-Gaudig T, Heinemann FW Journal article Semiempirical QM/MM techniques (1998) Clark T Journal article QM/MM calculations on the dimerization of vancomycin (1998) Lanig H, Clark T Journal article The catalytic mechanism of phospholipase A2: Semiempirical calculations including the protein environment by a QM/MM approach (1998) Schürer G, Lanig H, Clark T Journal article Observation of a low-energy adsorbate core-level satellite for CO bonded to palladium: Coordination-dependent effects (1998) Libuda J Journal article