apl. Prof. Dr. Timothy Clark

Naturwissenschaftliche Fakultät Computer-Chemie-Centrum (CCC)

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 Additive NDDO-based atomic polarizability model (2000) Martin B, Gedeck P, Clark T Journal article The mode of action of phospholipase A(2): Semiempirical MO calculations including the protein environment (2000) Schürer G, Lanig H, Clark T, Lanig H Journal article New multicentre point charge models for molecular electrostatic potentials from semiempirical MO-calculations (2000) Gedeck P, Schindler T, Alex A, Clark T Journal article P_6_ and P_3_ Cymantrene: Consequences of the Inclusion of Phosphorus Atoms in Mn-Coordinated Cyclopentadienyl Ligands (2000) Zenneck U, Clark T, Elvers A, Heinemann FW, Hennemann M, Zeller M Journal article sigma*-aromaticity in three-membered rings (2000) Göller AH, Clark T Journal article P-6 manganocene and P-3 cymantrene: Consequences of the inclusion of phosphorus atoms in Mn-coordinated cyclopentadienyl ligands (2000) Clark T, Hennemann M, Zenneck U Journal article Water exchange reactions and hydrolysis of hydrated titanium(III) ions. A density functional theory study (1999) Hartmann M, Clark T, van Eldik R Journal article Accurate parametrized variational calculations of the molecular electronic polarizability by NDDO-based methods (1999) Schürer G, Gedeck P, Gottschalk M, Clark T Journal article