apl. Prof. Dr. Timothy Clark

Naturwissenschaftliche Fakultät Computer-Chemie-Centrum (CCC)

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 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 1H-phosphiranes and -enes invert at phosphorus via a turnstile rotation (1997) Göller AH, Clark T Journal article Organophosphorus compounds .118. Reactions of 1-chloro-1H-phosphirenes with nucleophiles (1997) Göller AH, Clark T Journal article The quadricyclane to norbornadiene radical cation rearrangement: An ab initio and density functional study (1997) Clark T Journal article 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