apl. Prof. Dr. Timothy Clark

Naturwissenschaftliche Fakultät Computer-Chemie-Centrum (CCC)

1,5-hydrogen transfer - A hitherto ignored decay channel in the photodegradation of poly(2,6-dimethyl-1,4-phenylene oxide) (1996) Schneider S, Gedeck P, Clark T Journal article Opening and closure of the fullerene cage in cis-1-bisimino adducts of C60: The influence of the addition pattern and the addend (1996) Schick G, Hirsch A, Mauser H, Clark T Journal article, Original article The inhibition of alpha-chymotrypsin predicted using theoretically derived molecular properties (1996) Beck B, Glen R, Clark T Journal article The photodegradation of poly(2,6-dimethyl-1,4-phenylene oxide) - Experimental and theoretical studies on model compounds (1996) Schneider S, Gedeck P, 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 Ab initio calculations on electron-transfer catalysis by metal ions (1996) Clark T Authored book 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 AM1 AND PM3 CALCULATIONS ON THE EFFECT OF SUBSTITUENTS ON THE STABILITIES OF CARBOCATIONS IN THE GAS-PHASE AND IN SOLUTION (1995) Clark T Journal article POLARON MIGRATION IN DOPED POLYSILANES - AM1 CALCULATIONS ON THE RADICAL-CATION SI-17(CH3)(36)(+) (1995) Clark T Journal article IMPROVING NUMERICAL SCRF TECHNIQUES FOR GROUND AND EXCITED-STATES (1995) Clark T Journal article