Publikationen
Zeitschriftenartikel (23)
2001
Zeitschriftenartikel
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.
Zeitschriftenartikel
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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Zeitschriftenartikel
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.
Zeitschriftenartikel
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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Zeitschriftenartikel
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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Zeitschriftenartikel
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.
Zeitschriftenartikel
Lin, H.; ; ; ; ; Breidung, J.; Thiel, W.; ; The Si–H stretching–bending overtone polyads of SiHF3: Assignments, band intensities, internal coordinate force field, and ab initio dipole moment surfaces. The Journal of Chemical Physics 2001, 115, 1378–1391.
Zeitschriftenartikel
Lin, H.; ; ; ; Breidung, J.; Thiel, W. Overtones of the Si−H Stretching−Bending Polyad in SiHD3: Internal Coordinate Force Field, ab initio Dipole Moment Surfaces, and Band Intensities. The Journal of Physical Chemistry A 2001, 105, 6065–6072.
Zeitschriftenartikel
Döhring, A.; Jensen, V. R.; Jolly, P. W.; Thiel, W.; Donor-Ligand-Substituted Cyclopentadienylchromium(III) Complexes: A New Class of Alkene Polymerization Catalyst. 2. Phosphinoalkyl-Substituted Systems. Organometallics 2001, 20, 2234–2245.
Zeitschriftenartikel
Breidung, J.; Thiel, W.; ; The (n00), n=3, 4, and 6, local mode states of H3SiD: Fourier transform infrared and laser photoacoustic spectra and ab initio calculations of spectroscopic parameters. The Journal of Chemical Physics 2001, 114, 8844–8854.
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Zeitschriftenartikel
Thiel, W. BN-Doped Fullerenes: An NICS Characterization. The Journal of Organic Chemistry 2001, 66, 3380–3383.
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Zeitschriftenartikel
Thiel, W. The 2(N+1)2 rule for spherical aromaticity: further validation. Journal of Molecular Modeling 2001, 7, 161–163.
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Zeitschriftenartikel
Thiel, W. Description of peptide and protein secondary structures employing semiempirical methods. Journal of Computational Chemistry 2001, 22, 509–520.
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Zeitschriftenartikel
Thiel, W.; A strategy for analysis of (molecular) equilibrium simulations: Configuration space density estimation, clustering, and visualization. The Journal of Chemical Physics 2001, 114, 2079–2089.
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Zeitschriftenartikel
Thiel, W.; Superelectrophilic Tetrakis(carbonyl)palladium(II)- and -platinum(II) Undecafluorodiantimonate(V), [Pd(CO)4][Sb2F11]2 and [Pt(CO)4][Sb2F11]2: Syntheses, Physical and Spectroscopic Properties, Their Crystal, Molecular, and Extended Structures, and Density Functional Calculations: An Experimental, Computational, and Comparative Study. Journal of the American Chemical Society 2001, 123, 588–602.
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Zeitschriftenartikel
Breidung, J.; Thiel, W. Millimeter-wave spectroscopy, high resolution infrared spectrum, ab initio calculations, and molecular geometry of FPO. Physical Chemistry Chemical Physics 2001, 3, 4247–4257.
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Zeitschriftenartikel
Thiel, W.; Molecular dynamics study of oxygenation reactions catalysed by the enzyme p-hydroxybenzoate hydroxylase. Physical Chemistry Chemical Physics 2001, 3, 688–695.
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