Publications

Journal Article (18)

1999
Journal Article
Lohrenz, J. C. W.; Bühl, M.; Weber, M.; Thiel, W. A Density Functional Study on the Formation of Stereoerrors in the Stereoselective Propene Polymerization with Zirconocene Catalysts. Journal of Organometallic Chemistry 1999, 592, 11–21.
Journal Article
Antes, I.; Thiel, W. Adjusted Connection Atoms for Combined Quantum Mechanical and Molecular Mechanical Methods. The Journal of Physical Chemistry A 1999, 103, 9290–9295.
Journal Article
Breidung, J.; Demaison, J.; Margulès, L.; Thiel, W. Equilibrium Structure of SiF4. Chemical Physics Letters 1999, 313, 713–717.
Journal Article
Beckers, H.; Breidung, J.; Bürger, H.; Köppe, R.; Kötting, C.; Sander, W.; Schnöckel, H.; Thiel, W. Difluorosilanethione F2Si=S by Flash Vacuum Thermolysis of (F3Si)2S and by Reaction of SiS with F2 – Matrix Studies and Ab Initio Calculations. European Journal of Inorganic Chemistry 1999, No. 11, 2013–2019.
Journal Article
Senzlober, M.; Bürger, H.; Eujen, R.; Gelessus, A.; Thiel, W. Squaric Acid Difluoride. Journal of Fluorine Chemistry 1999, 99, 99–104.
Journal Article
Lupinetti, A. J.; Jonas, V.; Thiel, W.; Strauss, S. H.; Frenking, G. Trends in Molecular Geometries and Bond Strengths of the Homoleptic d10 Metal Carbonyl Cations [M(CO)n]x+ (Mx+=Cu+, Ag+, Au+, Zn2+, Cd2+, Hg2+; n=1–6): A Theoretical Study. Chemistry – A European Journal 1999, 5, 2573–2583.
Journal Article
Daura, X.; Antes, I.; van Gunsteren, W. F.; Thiel, W.; Mark, A. E. The Effect of Motional Averaging on the Calculation of NMR-Derived Structural Properties. Proteins: Structure, Function, and Genetics 1999, 36, 542–555.
Journal Article
Patchkovskii, S.; Thiel, W. NMR Chemical Shifts in MNDO Approximation: Parameters and Results for H, C, N, and O. Journal of Computational Chemistry 1999, 20, 1245.
Journal Article
Reetz, M. T.; Bohres, E.; Goddard, R.; Holthausen, M. C.; Thiel, W. Synthesis, Solid-State Structure, and Electronic Nature of a Phosphinine-Stabilized Triangulo Palladium Cluster. Chemistry - A European Journal 1999, 5, 2101–2108.
Journal Article
Demaison, J.; Breidung, J.; Thiel, W.; Papoušek, D. The Equilibrium Structure of Methyl Fluoride. Structural Chemistry 1999, 10, 129–133.
Journal Article
Jonas, V.; Thiel, W. Symmetry Force Fields for Neutral and Ionic Transition Metal Carbonyl Complexes from Density Functional Theory. The Journal of Physical Chemistry A 1999, 103, 1381–1393.
Journal Article
Breidung, J.; Bürger, H.; McNaughton, D.; Senzlober, M.; Thiel, W. Ab Initio and High Resolution Infrared Study of FCΞCBr. Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy 1999, 55, 695–708.
Journal Article
Breidung, J.; Thiel, W.; Gauss, J.; Stanton, J. F. Anharmonic Force Fields from Analytic CCSD(T) Second Derivatives: HOF and F2O. The Journal of Chemical Physics 1999, 110, 3687–3696.
Journal Article
Herrmann, A.; Rüttimann, M. W.; Gibtner, T.; Thilgen, C.; Diederich, F.; Mordasini, T.; Thiel, W. Achiral and Chiral Higher Adducts of C70 by Bingel Cyclopropanation. Helvetica Chimica Acta 1999, 82, 261–289.
Journal Article
Jacobsen, H.; Jonas, V.; Werner, D.; Messmer, A.; Panitz, J.-C.; Berke, H.; Thiel, W. Vibrational Spectra of Nitrosyl-Substituted Transition-Metal Hydride Complexes: An Experimental and Theoretical Study of Carbonyldihydronitrosyl(Trimethylphosphine)Rhenium ([Re(CO)H2(NO)(PMe3)2]). Helvetica Chimica Acta 1999, 82, 297–307.
Journal Article
Breidung, J.; Bürger, H.; Senzlober, M.; Thiel, W. High Resolution FTIR Spectrum of Chlorofluoroethyne, FCCCl, below 1000 Cm–1. Analysis of the ʋ3, ʋ4, ʋ5, 2ʋ4, ʋ4 + ʋ5 and 2ʋ5 Bands, and Ab Initio Calculations. Zeitschrift fuer Naturforschung, A: Physical Sciences 1999, 54, 236–244.
Journal Article
Demaison, J.; Margulès, L.; Breidung, J.; Thiel, W.; Bürger, H. Ab Initio Anharmonic Force Field, Spectroscopic Parameters and Equilibrium Structure of Trifluorosilane. Molecular Physics 1999, 97, 1053–1067.
Journal Article
Jonas, V.; Thiel, W. Theoretical Study on Linear Dicyanide and Dicarbonyl Complexes of the Metals Au, Hg, and Tl. On the Possible Existence of a [Tl(CO)2]3+ Cation. Journal of the Chemical Society, Dalton Transactions 1999, No. 21, 3783–3790.
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