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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
Journal article
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Principle and mechanism of direct porphyrin metalation: Joint experimental and theoretical investigation (2007)
Shubina T, Marbach H, Flechtner K, Kretschmann A, Jux N, Buchner F, Steinrück HP, et al.
Journal article, Original article
SCRF-DFT and NMR Comparison of Tetracycline and 5a,6-Anhydrotetracycline in Solution (2006)
Othersen O, Waibel R, Lanig H, Gmeiner P, Clark T
Journal article, Original article
Protons on tour - DFT-study of H+-migration in [1.1.1]- and [2.2.2]-cryptands (2006)
Puchta R, Galle M, van Eikema Hommes N
Journal article
Quantum chemical analysis of the enantiomerisation mechanism of complexes of the type [M-II(XU)(4)]F+ (M = Pt, Pd, Ni; X = S, Se, Te; U = urea) (2006)
Puchta R, Meier R, van Eikema Hommes N, van Eldik R
Journal article
AM1*and beyond: Aspects of modern semiempirical methods (2006)
Clark T
Journal article
The structure of 5a,6-anhydrotetracycline and its Mg2+ complexes in aqueous solution (2006)
Othersen O, Lanig H, Clark T
Journal article
Lithium cation as radical-polymerization catalyst (2006)
Clark T
Journal article
A new enantiomerization mechanism for tripodal penta-coordinate Zn-II(nta) complexes. Theoretical clarification of the observed H-1 NMR spectrum (2006)
Puchta R, van Eikema Hommes N, Meier R, van Eldik R
Journal article
Paul von Rague Schleyer 75th birthday festschrift (2006)
Clark T
Journal article
The ethylene/metal(0) and ethylene/metal(I) redox system: model ab initio calculations (2006)
Alex A, Hänsele E, Clark T
Journal article
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