Computer-Chemie-Centrum (CCC)

Bicyclic diironcryptates with mobile guest cations: A new class of solid ionic conductors (2008) Puchta R, Roling B, Scheurer A, Weiskopf V, Hampel F, van Eikema Hommes N, Hummel HU Journal article The cyclooligomerisation of acetylene at metal centres (2008) Xu R, Winget P, Clark T Journal article Rock around the ring: An experimental and theoretical study of the molecular dynamics of stannyltriphospholes with chiral tin substituents (2008) Hofmann M, Clark T, Heinemann FW, Zenneck U Journal article An ab initio and density functional theory study of radical-clock reactions (2008) Jäger C, Hennemann M, Mieszala A, Clark T Journal article A composite model for hERG blockade (2008) Kramer C, Beck B, Kriegl JM, Clark T Journal article p-Phenyleneethynylene molecular wires: influence of structure on photoinduced electron-transfer properties. (2008) Wielopolski M, Atienza C, Clark T, Guldi DM, Martín N Journal article, Original article Quantum Mechanics (2008) Clark T Authored book, other QSAR studies using the parashift system (2008) Livingstone DJ, Clark T, Ford MG, Hudson BD, Whitley DC Journal article Why do cationic hydridoiridium(III) complexes with β-aminophosphane ligands favour the transfer hydrogenation of ketones over the direct "H2-hydrogenation"? - A computational approach (2008) Puchta R, Dahlenburg L, Clark T Journal article, Original article Monitoring biological membrane-potential changes: A CI QM/MM study (2008) Rusu CF, Lanig H, Othersen O, Kryschi C, Clark T Journal article, Original article