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 Nucleus-independent chemical shifts: A simple and efficient aromaticity probe (1996) Schleyer P, Maerker C, Dransfeld A, Jiao H, van Eikema Hommes N Journal article The carbon-lithium electron pair bond in (CH3Li)(n) (n=1, 2, 4) (1996) Bickelhaupt M, van Eikema Hommes N, Fonseca Guerra C, Baerends EJ Journal article The inhibition of alpha-chymotrypsin predicted using theoretically derived molecular properties (1996) Beck B, Glen R, Clark T Journal article [5]Pericyclynes are not homoaromatic (1996) Jiao H, van Eikema Hommes N, Schleyer P, de Meijere A 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