Department Chemie und Pharmazie

Semiempirical molecular dynamics. (2001) Clark T Journal article Reaction kinetics on supported model catalysts: Molecular beam/in situ time-resolved infrared reflection absorption spectroscopy study of the CO oxidation on alumina supported Pd particles (2001) Libuda J Conference contribution A temperature-dependent quantum mechanical/neural net model for vapor pressure (2001) Beck B, Clark T Journal article SAM1 semiempirical calculations on the mechanism of cytochrome P450 metabolism (2001) Göller AH, Clark T Journal article Normal coordinate analyses of ruthenium-sulfur dioxide complexes (2001) Lauter M, Breitinger D, Breiter R, Mink J, Bencze E Journal article, Original article [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 Size dependent reaction kinetics on supported model catalysts: A molecular beam/IRAS study of the CO oxidation on alumina-supported Pd particles (2001) Libuda J Journal article Comparative molecular field analysis of dopamine D4 receptor antagonists including 3-[4-(4-chlorophenyl)piperazin-1-ylmethyl]pyrazolo[1,5-a]pyridine (FAUC 113), 3-[4-(4-chlorophenyl)piperazin-1-ylmethyl]-1H-pyrrolo-[2,3-b]pyridine (L-745,870), and clozapine. (2001) Lanig H, Utz W, Gmeiner P Journal article, Original article Study of the reaction mechanism of bovine lens leucine aminopeptidase using semiempirical methods. (2001) Schürer G, Clark T Other publication type