Computer-Chemie-Centrum (CCC)

VESPA: A new, fast approach to electrostatic potential-derived atomic charges from semiempirical methods (1997) Beck B, Clark T, Glen R Journal article Empirical force-field and ab initio calculations on delocalized open chain cations (1997) Clark T, Schleyer P Journal article Prediction of the n-octanol/water partition coefficient, logP, using a combination of semiempirical MO-calculations and a neural network (1997) Breindl A, Beck B, Clark T, Glen R Journal article Stabilization of Atomic Nitrogen Inside C60 (1997) Mauser H, Hirsch A, van Eikema Hommes N, Clark T, Pietzak B, Weidinger A, Dunsch L Journal article, Original article Semi-empirical MO calculations on enzyme reaction mechanisms (1997) Clark T, Gedeck P, Lanig H, Schürer G Book chapter / Article in edited volumes Chemistry of Convex versus Concave Carbon: The Reactive Exterior and the Inert Interior of C60 (1997) Mauser H, van Eikema Hommes N, Hirsch A, Clark T Journal article The journal of molecular modeling: Electronic chemistry publishing (1996) Clark T Journal article A new method for empirical force field calculations on localized and delocalized carbocations (1996) Clark T, Schleyer P Journal article sigma*-aromaticity of substituted 1H-phosphirenium cations and substituted silacyclopropenes (1996) Göller AH, Clark T Journal article On the enhanced stability of the guanine-cytosine base-pair radical cation (1996) Clark T Journal article