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Computer-Chemie-Centrum
Friedrich-Alexander-Universität Erlangen-Nürnberg
Naturwissenschaftliche Fakultät
Department Chemie und Pharmazie
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Publications
(674)
Research Grants
(6)
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[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
Organometallic Chemistry in the Computer, Ab-Initio/DFT Computations (1996)
van Eikema Hommes N
Book chapter / Article in edited volumes
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
INVESTIGATION OF ORGANOLITHIUM DIMERIZATION ON IRRADIATED CDS POWDER (1995)
Clark T
Journal article
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