Computer-Chemie-Centrum (CCC)

Sodium effect on self-organization of amphiphilic carboxylates: Formation of structured micelles and superlattices (2010) Rosenlehner K, Schade B, Böttcher C, Jäger C, Clark T, Heinemann FW, Hirsch A Journal article, Original article Self-assembly of structurally persistent micelles is controlled by specific-ion effects and hydrophobic guests (2010) Jäger C, Hirsch A, Schade B, Ludwig K, Böttcher C, Clark T Journal article, Original article CO and NO complexes of Fe(II) and Co(II) porphyrins (2010) Shubina T, Clark T Journal article AM1* parameters for manganese and iron (2010) Kayi H, Clark T Journal article AM1* parameters for cobalt and nickel (2010) Kayi H, Clark T Journal article The local electron affinity for non-minimal basis sets (2010) Clark T Journal article An improved generalized AMBER force field (GAFF) for urea (2010) Özpinar G, Peukert W, Clark T Journal article The morphology of integrated self-assembled monolayers and their impact on devices – A computational and experimental approach (2010) Novak M, Jäger C, Rumpel A, Kropp H, Peukert W, Clark T, Halik M Journal article, Report Induction of the tetracycline repressor: Characterization by molecular-dynamics simulations (2009) Haberl F, Lanig H, Clark T Journal article A Consistent Dataset of Kinetic Solubilities for Early-Phase Drug Discovery (2009) Kramer C, Heinisch T, Fligge T, Beck B, Clark T Journal article