Computer-Chemie-Centrum (CCC)

Is the calcium-ion catalysis of biological reoxidation of reduced PQQ purely electrostatic? (1998) Schürer G, Clark T Journal article The important role of active site water in the catalytic mechanism of human carbonic anhydrase II - A semiempirical MO approach to the hydration of CO2 (1998) Hartmann M, Merz KM, van Eldik R, Clark T Journal article Structural and electronic properties of self-assembled supramolecular grid structures: Doping of supramolecular thin films (1998) Hassmann J, Hahn CY, Waldmann O, Volz E, Schleemilch HJ, Hallschmid N, Müller P, et al. Journal article Chemical Faraday Cages: The Inert Inner Surfaces of Strongly Bent sp2-Carbon Networks and Fullerenes (1998) Hirsch A, Mauser H, Clark T Book chapter / Article in edited volumes Encyclopedia of Computationsl Chemistry (1998) Schleyer P, Allinger NL, Clark T, Gasteiger J, Kollman P, Schaefer III HF, Schreiner PR Edited Volume Some biological applications of semiempirical MO theory (1998) Beck B, Clark T Journal article Stabilisation of atomic elements inside C60 (1998) Mauser H, Clark T, Hirsch A Book chapter / Article in edited volumes An evaluation of the aromaticity of inorganic rings: Refined evidence from magnetic properties (1997) Schleyer P, Jiao H, van Eikema Hommes N, Malkin V, Malkina O Journal article QM (semiempirical MO) MM binding studies. (1997) Clark T, Gedeck P, Lanig H, Beck B Other publication type Hydration and water exchange of zinc(II) ions. Application of density functional theory (1997) Hartmann M, Clark T, van Eldik R Journal article