Department Chemie und Pharmazie

Hybrid QM/MM simulations of enzyme reaction mechanisms. (2000) Clark T, Schürer G, King W Journal article Charge carriers in polythiophenes. (2000) Clark T, Schindler T Journal article Using quantum chemistry to calculate atomic and group descriptors for QSAR and QSPR. (2000) Gedeck P, Martin B, Schindler T, Clark T Other publication type Numerical drug-fitness index. (2000) Clark T Journal article On the band gap in peptide alpha-helices (2000) Herz T, Otto P, Clark T Journal article Atomphysik am Computer (2000) Girwidz R, Gößwein O, Steinrück HP Journal article QM/NN QSPR models with error estimation: Vapor pressure and LogP (2000) Beck B, Breindl A, Clark T Journal article P(6) Manganocene and P(3) Cymantrene: Consequences of the Inclusion of Phosphorus Atoms in Mn-Coordinated Cyclopentadienyl Ligands This work was supported by the Deutsche Forschungsgemeinschaft and the Fonds der Chemischen Industrie. A.E., M.H., and M.Z. thank the DFG-Graduiertenkolleg ("Phosphorchemie als Bindeglied verschiedener chemischer Disziplinen" of the University of Kaiserslautern) and M.Z. also thanks the Studienstiftung des Deutschen Volkes for fellowships. (2000) Clark T, Elvers A, Heinemann FW, Hennemann M, Zeller M, Zenneck U Journal article The nitrogenase catalyzed N2-dependent HD formation: a model reaction and its significance for the FeMoco function (2000) Sellmann D, Fürsattel A, Sutter J Journal article, Letter Transition metal complexes with sulfur ligands Part CXLIV. Square planar nickel complexes with NiS 4 cores in three different oxidation states: Synthesis, X-ray structural and spectroscopic studies (2000) Sellmann D, Binder H, Häußinger D, Heinemann FW, Sutter J Journal article