Editorial 2003 (2003) Clark T Journal article A QSPR-approach to the estimation of the pK(HB) of six-membered nitrogen-heterocycles using quantum mechanically derived descriptors (2002) Hennemann M, Clark T Journal article Molecular dynamics of a Schiff base tetramacrocycle studied by NMR and MD simulations. (2000) Grohmann A, Lanig H, Bauer W, Schmidt S, Heinemann FW Journal article, Original article sigma*-aromaticity in three-membered rings (2000) Göller AH, Clark T Journal article Exploring {2}-metallacryptands and {2}-metallacryptates with quantum chemical methods - When (not only) computer chemists' dreams come true (2000) Puchta R, van Eikema Hommes N, Seitz V, Saalfrank R Journal article A semiempirical QM/MM implementation and its application to the absorption of organic molecules in zeolites (1999) Clark T, Alex A, Beck B, Gedeck P, Lanig H 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 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