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Computer-Chemie-Centrum
Friedrich-Alexander-Universität Erlangen-Nürnberg
Naturwissenschaftliche Fakultät
Department Chemie und Pharmazie
Overview
Publications
(674)
Research Grants
(6)
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Journal article
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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
Stabilization of Atomic Nitrogen Inside C60 (1997)
Mauser H, Hirsch A, van Eikema Hommes N, Clark T, Pietzak B, Weidinger A, Dunsch L
Journal article, Original article
Semi-empirical MO calculations on enzyme reaction mechanisms (1997)
Clark T, Gedeck P, Lanig H, Schürer G
Book chapter / Article in edited volumes
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