Computer-Chemie-Centrum (CCC)

Theoretical Studies on the Smallest Fullerene: From Monomer to Oligomers and Solid States (2004) Chen Z, Heine T, Jiao H, Hirsch A, Thiel W, Schleyer P Journal article, Original article NO Binding to Cobalamin: Influence of the Metal Oxidation State (2004) van Eldik R, Clark T Journal article Deuteration effects on the vibronic structure of the fluorescence spectra and the internal conversion rates of triangular [4]phenylene (2004) Dosche C, Kumke M, Löhmannsröben HG, Ariese F, Bader A, Gooijer C, Miljanic O, et al. Journal article Systematic surface scan of the most favorable interaction sites of magnesium ions with tetracycline (2003) Othersen O, Lanig H, Clark T Journal article Conformations and tautomers of tetracycline (2003) Othersen O, Beierlein F, Lanig H, Clark T Journal article AM1*parameters for phosphorus, sulfur and chlorine (2003) Winget P, Horn A, Martin B, Clark T Journal article Phenothiazine-pyrene dyads: Photoinduced charge separation and structural relaxation in the CT state (2003) Acar N, Kurzawa J, Schneider S, Clark T Journal article Towards a ''next generation'' neglect of diatomic differential overlap based semiempirical molecular orbital technique (2003) Winget P, Horn A, Martin B, Clark T Journal article Local molecular properties and their use in predicting reactivity (2003) Ehresmann B, Martin B, Horn A, Clark T Journal article 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