Computer-Chemie-Centrum

Where good methods go bad: Correcting systematic errors in current semiempirical methods. (2004) Winget P, Clark T Journal article Desymmetrisation of C-2-symmetric (2S,3S)-diazidobutane-1,4-diol with benzaldehyde (2004) Scheurer A, Bauer W, Hampel F, Schmidt C, Saalfrank R, Mosset P, Puchta R, van Eikema Hommes N Journal article New molecular descriptors based on local properties at the molecular surface and a boiling-point model derived from them (2004) Ehresmann B, Alex A, Clark T Journal article How does Mg2+ affect the binding of anhydrotetracycline in the TetR protein? (2004) Leypold C, Marian DT, Roman C, Schneider S, Schubert P, Scholz O, Hillen W, et al. Journal article Computer simulations of enzyme reaction mechanisms: Simulation of protein spectra (2004) Beierlein F, Clark T Authored book 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