Department Chemie und Pharmazie

Photochemistry in solution with semiempirical Cl (2004) Clark T, Schneider S Journal article Quantum mechanical/molecular mechanical (QM/MM) docking: A new protocol and its evaluation for known test systems. (2004) Horn A, Beierlein F, Lanig H, Schürer G, Clark T Other publication type MD/CI-approach simulating FRET in proteins. (2004) Beierlein F, Lanig H, Othersen O, Schneider S, Clark T Other publication type Where good methods go bad: Correcting systematic errors in current semiempirical methods. (2004) Winget P, Clark T Journal article Heterolytic cleavage of H2 at a sulfur-bridged dinuclear ruthenium center. (2004) Heinemann FW Journal article Surface reactivity of Pd nanoparticles supported on polycrystalline substrates as compared to thin film model catalysts: Infrared study of CO adsorption (2004) Libuda J Journal article Multielectron chemistry of zinc porphyrinogen: A ligand-based platform for two-electron mixed valency (2004) Bachmann J Journal article, Original article Desymmetrisation of C-2-symmetric (2S,3S)-diazidobutane-1,4-diol with benzaldehyde (2004) Scheurer A, Bauer W, Hampel F, Schmidt C, Saalfrank R, Mosset P, Puchta R, van Eikema Hommes N Journal article New molecular descriptors based on local properties at the molecular surface and a boiling-point model derived from them (2004) Ehresmann B, Alex A, Clark T Journal article Binding N2, N2H2, N2H4, and NH3 to transition-metal sulfur sites: modeling potential intermediates of biological N2 fixation. (2004) Heinemann FW Journal article