Publikationen
Zeitschriftenartikel (16)
1992
Zeitschriftenartikel
Thiel, W.; ; ; Quantum-chemical study of C84 fullerene isomers. Chemical Physics Letters 1992, 200, 411–417.
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Zeitschriftenartikel
Thiel, W.; Extension of MNDO to d Orbitals: Parameters and Results for the Halogens. International Journal of Quantum Chemistry 1992, 44, 807–829.
Zeitschriftenartikel
Thiel, W.; Extension of the MNDO formalism to d orbitals: Integral approximations and preliminary numerical results. Theoretica Chimica Acta 1992, 81, 391–404.
Zeitschriftenartikel
Thiel, W. State‐selectivity of excited‐state intramolecular proton transfer in a ‘‘double’’ benzoxazole: Jet spectroscopy and semiempirical calculations. The Journal of Chemical Physics 1992, 97, 3914–3919.
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Zeitschriftenartikel
Thiel, W. Quantum-chemical study of C78 fullerene isomers. Chemical Physics Letters 1992, 197, 324–329.
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Zeitschriftenartikel
Thiel, W.; Breidung, J. Large discrepancies between the theoretically predicted and experimentally observed vibrational frequencies of ONCl2+ and ONClF+. Chemical Physics Letters 1992, 197, 330–334.
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Zeitschriftenartikel
Breidung, J.; ; Thiel, W.; The vibrational frequencies of difluoroethyne. The Journal of Chemical Physics 1992, 97, 3498–3499.
Zeitschriftenartikel
Thiel, W.; ; The harmonic force fields of dimethyl zinc, cadmium and mercury: a joint theoretical and experimental study. Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy 1992, 48, 1067–1082.
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Zeitschriftenartikel
Thiel, W. Fullerene C50 isomers: temperature-induced interchange of relative stabilities. Thermochimica Acta 1992, 202, 249–254.
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Zeitschriftenartikel
Thiel, W. Singlet excited-state intramolecular proton tranfer in 2-(2t'-hydroxyphenyl) benzoxazole: spectroscopy at low temperatures, femtosecond transient absorption, and MNDO calculations. Chemical Physics 1992, 163, 43–53.
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Zeitschriftenartikel
Thiel, W. Theoretical study of buckminsterfullerene derivatives C60Xn (X=H, F; n=2, 36, 60). Chemical Physics Letters 1992, 192, 236–242.
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Zeitschriftenartikel
Breidung, J.; Thiel, W. A Systematic Ab Initio Study of the Group V Trihalides MX3 and Pentahalides MX5 (M = P—Bi, X = F—I). Journal of Computational Chemistry 1992, 13, 165–176.
Zeitschriftenartikel
Thiel, W. High Resolution FTIR Study of the v8 Band and ab initio Calculation of the Harmonic and Anharmonic Force Field of Difluoromethanimine, CF2NH. Zeitschrift fuer Naturforschung, A: Physical Sciences 1992, 47, 475–479.
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Zeitschriftenartikel
Thiel, W. Ab initio calculation of harmonic force fields and vibrational spectra for trichloromethyltitanium and related compounds. Chemical Physics Letters 1992, 189, 105–111.
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Zeitschriftenartikel
Breidung, J.; ; Thiel, W.; The vibrational frequencies of difluoroethyne. The Journal of Chemical Physics 1992, 97, 3498–3499.
Zeitschriftenartikel
Thiel, W. Ab initio calculation of anharmonic force fields for the methyl, silyl, germyl, and stannyl halides. Chemical Physics 1992, 159, 49–66.
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