Publications of W. Thiel
All genres
Journal Article (627)
2002
Journal Article
Vyboishchikov, S. E.; Bühl, M.; Thiel, W. Mechanism of Olefin Metathesis with Catalysis by Ruthenium Carbene Complexes: Density Functional Studies on Model Systems. Chemistry-A European Journal 2002, 8, 3962–3975.
Journal Article
Jagadeesh, M. N.; Thiel, W.; Köhler, J.; Hydrosilylation with bis(Alkynyl)(1,5-Cyclooctadiene) Platinum Catalysts: A Density Functional Study of the Initial Activation. Organometallics 2002, 21, 2076–2087.
Journal Article
Thiel, W.; Chemical Library Subset Selection Algorithms: A Unified Derivation Using Spatial Statistics. Journal of Chemical Information and Computer Sciences 2002, 42, 414–428.
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Thiel, W. Enzymatic Reactions of Triosephosphate Isomerase: A Theoretical Calibration Study. Journal of Physical Chemistry B 2002, 106, 1758–1767.
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Thiel, W.; Molecular Dynamics Simulations of Photoactive Yellow Protein (PYP) in Three States of its Photocycle: A Comparison with X-Ray and NMR Data and Analysis of the Effects of Glu46 Deprotonation and Mutation. European Biophysics Journal 2002, 31, 504–520.
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Journal Article
Breidung, J.; Thiel, W. Bismuthine BiH3: Fact or Fiction? High-Resolution Infrared, Millimeter-Wave, and Ab Initio Studies. Angewandte Chemie - International Edition 2002, 41, 2550–2552.
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Breidung, J.; Thiel, W. Bismutan BiH3: Fakt oder Fiktion? Hochauflösende Infrarot-, Millimeterwellen- und Ab-Initio-Untersuchungen. Angewandte Chemie 2002, 114, 2659–2661.
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Thiel, W. Oxa- and Thia-Fullerenes (C59O, C59S): Closed or Opened Cages? Physical Chemistry Chemical Physics 2002, 4, 4916–4920.
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Schöneboom, J. C.; Lin, H.; ; Thiel, W.; ; ; The Elusive Oxidant Species of Cytochrome P450 Enzymes: Characterization by Combined Quantum Mechanical/Molecular Mechanical (QM/MM) Calculations. Journal of the American Chemical Society 2002, 124, 8142–8151.
2001
Journal Article
Breidung, J.; Thiel, W. Equilibrium Structure and Fundamental Vibrational Wavenumbers in Monomeric Methyllithium CH3Li: an Ab Initio Study. Journal of Molecular Structure 2001, 599, 239–254.
Journal Article
Breidung, J.; ; ; ; ; Thiel, W.; Millimeter-Wave Spectroscopy, High Resolution Infrared Spectrum, Ab Initio Calculations, and Molecular Geometery of FPS. Journal of Molecular Spectroscopy 2001, 210, 213–223.
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Jensen, V. R.; Thiel, W. Computational Investigation of Ethylene Insertion into the Metal−Methyl Bond of First-Row Transition Metal(III) Species. Organometallics 2001, 20, 4852–4862.
Journal Article
Thiel, W.; ; Fibrillation Power, an Alternative Method of ECG Spectral Analysis for Prediction of Countershock Success in a Porcine Model of Ventricular Fibrillation. Resuscitation 2001, 50, 287–296.
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Thiel, W. Theoretical Studies on the Substitution Patterns in Heterofullerenes C70-xNx and C70-xBx (x = 2−10). The Journal of Physical Chemistry A 2001, 105, 8105–8110.
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Journal Article
Döhring, A.; Jensen, V. R.; Jolly, P. W.; Thiel, W.; Steric Control of the Chromium-Catalyzed Oligomerization of Ethylene. Macromolecular Symposia 2001, 173, 117–121.