Computer-Chemie-Centrum (CCC)

Quantum mechanical/molecular mechanical (QM/MM) docking: an evaluation for known test systems (2003) Beierlein F, Lanig H, Schürer G, Horn A, Clark T Journal article The structure and stability of Si-60 and Ge-60 cages: A computational study (2003) Chen Z, Jiao H, Horn A, Clark T, Thiel W, Schleyer P Journal article Editorial 2003 (2003) Clark T Journal article Cocrystallization with acetylene. The 1 : 1 complex with benzene: Crystal growth, x-ray diffraction and molecular simulations (2003) Clark T Journal article Structures and stabilities of endo- and exohedral dodecahedrane complexes (XΓ20H20 and XC20H20, X = H+, H, N, P, C-, Si-, O+, S+) (2003) Chen Z, Jiao H, Moran DM, Hirsch A, Thiel W, Schleyer P Journal article, Original article Structures of Carbonato and Bicarbonato Complexes of Bis(1,10-phenanthroline)Zinc(II): Experiment and Theory (2003) Hanauer H, Liehr G, Clark T, van Eldik R Journal article Does Metal Ion Complexation Make Radical Clocks Run Fast? (2003) Horn A, Clark T Journal article Shpol'skii spectroscopy and vibrational analysis of [N]phenylenes (2003) Dosche C, Kumke M, Ariese F, Bader A, Gooijer C, Dosa P, Han S, et al. Journal article Electrostatic complexation and photoinduced electron transfer between Zn-Cytochrome c and polyanionic fullerene dendrimers (2003) Braun M, Atalick S, Guldi DM, Lanig H, Brettreich M, Burghardt S, Hatzimarinaki M, et al. Journal article, Original article Molecular orbital and DFT studies on water exchange mechanisms of metal ions (2003) van Eldik R, Clark T, Hanauer H Journal article