Publikationen
Zeitschriftenartikel (19)
1997
Zeitschriftenartikel
Thiel, W. Theoretical evidence for stereoselective lithiations of 2-alkoxy-1,1-diiodo-1-alkenes. An ab initio study. Journal of Organometallic Chemistry 1997, 548, 185–189.
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Zeitschriftenartikel
Breidung, J.; ; ; ; ; ; Thiel, W.; Difluorovinylidene, F2C=C. Angewandte Chemie, International Edition in English 1997, 36, 1983–1985.
Zeitschriftenartikel
Thiel, W. Analytical first derivatives of the energy for small CI expansions. Theoretical Chemistry Accounts 1997, 98, 1–4.
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Zeitschriftenartikel
Breidung, J.; Thiel, W. Equilibrium Structure and Spectroscopic Constants of Dichloroethyne: An ab Initio Study. Journal of Molecular Spectroscopy 1997, 185, 115–122.
Zeitschriftenartikel
Thiel, W. Anharmonic force fields from density functional theory. Chemical Physics Letters 1997, 273, 71–78.
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Zeitschriftenartikel
Thiel, W. Computatioal methods for large molecules. Journal of Molecular Structure: Theochem 1997, 398-399, 1–6.
Zeitschriftenartikel
Breidung, J.; Thiel, W.; ; The equilibrium structure of silene H2C=SiH2 from millimeter wave spectra and from ab initio calculations. The Journal of Chemical Physics 1997, 106, 10016–10026.
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Zeitschriftenartikel
Thiel, W. High Resolution Infrared Studies and Quantum-Chemical Calculations on MnO3F. Journal of Molecular Spectroscopy 1997, 183, 139–150.
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Zeitschriftenartikel
Thiel, W.; ; ; Bis- through Tetrakis-Adducts of C60 by Reversible Tether-Directed Remote Functionalization and systematic investigation of the changes in fullerene properties as a function of degree, pattern, and nature of functionalization. Helvetica Chimica Acta 1997, 80, 343–371.
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Zeitschriftenartikel
Thiel, W. Radical Impurity Mechanisms for Helium Incorporation into Buckminsterfullerene. Helvetica Chimica Acta 1997, 80, 495–509.
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Zeitschriftenartikel
Breidung, J.; Thiel, W.; Equilibrium structure of PH2Br. Chemical Physics Letters 1997, 266, 515–520.
Zeitschriftenartikel
Thiel, W.; ; ; Infrared Spectrum and Structure of Me2TiCl2 and Quantum Mechanical Calculations of Geometries and Force Fields for MeTiCl3 and Me2TiCl2. The Journal of Physical Chemistry A 1997, 101, 1951–1968.
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Zeitschriftenartikel
Thiel, W.; Rotation and inversion barriers in N-methylmethanesulfonamide from ab initio calculations. Journal of Molecular Structure: Theochem 1997, 391, 125–130.
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Zeitschriftenartikel
Thiel, W. Equilibrium yield for helium incorporation into buckminsterfullerene: Quantum-chemical evaluation. The Journal of Chemical Physics 1997, 106, 1796–1799.
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Zeitschriftenartikel
Thiel, W. A new gradient-corrected exchange-correlation density functional. Molecular Physics 1997, 91, 847–859.
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Zeitschriftenartikel
Thiel, W. A Nonlocal Correlation Energy Density Functional from a Coulomb Hole Model. International Journal of Quantum Chemistry 1997, 62, 603–616.
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Zeitschriftenartikel
Thiel, W. A nonlocal correlation energy density functional from a Coulomb hole model. International Journal of Quantum Chemistry 1997, 62, 603–616.
; Buchkapitel (3)
1997
Buchkapitel
Thiel, W. REDOX BEHAVIOUR OF MONO- THROUGH HEXAKIS-ADDUCTS OF C60 FULLERENE. In Fullerenes: Recent Advances in the Physics and Chemistry of Fullerenes and Related Materials, Vol. 5; , , Hrsg.; , , Hrsg.; The Electrochemical Society: Pennington, NJ, 1997; Bd. 5, S 95–98.
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