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 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 Investigation of the uncatalyzed hydration of CO2 and first approximations to the active site of carbonic anhydrase - A combined Ab initio and DFT study (1996) Hartmann M, Clark T, van Eldik R Journal article Theoretical study of the water exchange reaction on divalent zinc ion using density functional theory (1996) Hartmann M, Clark T, van Eldik R Journal article A combined semiempirical MO neural net technique for estimating C-13 chemical shifts (1995) Clark T, Rauhut G, Breindl A Journal article A detailed study of VESPA electrostatic potential-derived atomic charges (1995) Beck B, Clark T, Glen R Journal article