Publications of Walter Thiel

Breidung, J.; Schneider, W.; Thiel, W.; Lee, T. J. The Vibrational Frequencies of Difluoroethyne. The Journal of Chemical Physics 1992, 97, 3498–3499.

Kippels, C.; Thiel, W.; McKean, D. C.; Coats, A. M. 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.

Slanina, Z.; Adamowicz, L.; Bakowies, D.; Thiel, W. Fullerene C₅₀ Isomers: Temperature-Induced Interchange of Relative Stabilities. Thermochimica Acta 1992, 202, 249–254.

Arthen-Engeland, T.; Bultmann, T.; Ernsting, N. P.; Rodriguez, M. A.; 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.

Bakowies, D.; Thiel, W. Theoretical Study of Buckminsterfullerene Derivatives C₆₀X_n (X=H, F; n=2, 36, 60). Chemical Physics Letters 1992, 192, 236–242.

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.

Bürger, H.; Kuna, R.; Pawelke, G.; Sommer, S.; 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.

Krömer, R.; Thiel, W. Ab Initio Calculation of Harmonic Force Fields and Vibrational Spectra for Trichloromethyltitanium and Related Compounds. Chemical Physics Letters 1992, 189, 105–111.

Breidung, J.; Schneider, W.; Thiel, W.; Lee, T. J. The Vibrational Frequencies of Difluoroethyne. The Journal of Chemical Physics 1992, 97, 3498–3499.

Schneider, W.; Thiel, W. Ab Initio Calculation of Anharmonic Force Fields for the Methyl, Silyl, Germyl, and Stannyl Halides. Chemical Physics 1992, 159, 49–66.

Bürger, H.; Schneider, W.; Sommer, S.; Thiel, W.; Willner, H. The Vibrational Spectrum and Rotational Constants of Difluoroethyne FC≡CF. Matrix and High Resolution Infrared Studies and Ab Initio Calculations. The Journal of Chemical Physics 1991, 95, 5660–5669.

Kaupert, C.; Heydtmann, H.; Thiel, W. The Vibrational Spectra of the Monohalogenated Cyclopropanes: Ab Initio Calculations and an Experimental Study of Fluorocyclopropane. Chemical Physics 1991, 156, 85–93.

Bakowies, D.; Thiel, W. MNDO Study of Large Carbon Clusters. Journal of the American Chemical Society 1991, 113, 3704–3714.

Bakowies, D.; Thiel, W. Theoretical Infrared Spectra of Large Carbon Clusters. Chemical Physics 1991, 151, 309–321.

Breidung, J.; Thiel, W.; Komornicki, A. Ab Initio Calculation of Harmonic Force Fields and Vibrational Spectra of the Fluoroarsines AsH_nF_3–n (n = 0–3) and the Fluoroarsoranes AsH_nF_5–n (n = 0–5). Inorganic Chemistry 1991, 30, 1067–1073.

Beckers, H.; Breidung, J.; Bürger, H.; Kuna, R.; Rahner, A.; Schneider, W.; Thiel, W. High‐Resolution Rotation–Vibration Spectroscopy of Difluorophosphorane: A Combined Theoretical and Experimental Study. The Journal of Chemical Physics 1990, 93, 4603–4614.

Schneider, W.; Thiel, W.; Komornicki, 'A. Ab Initio Calculation of Harmonic Force Fields and Vibrational Spectra for the Arsine Oxides and Sulfides R₃AsY (R = H, F; Y = O, S) and Related Compounds. The Journal of Physical Chemistry 1990, 94, 2810–2814.

Breidung, J.; Schneider, W.; Thiel, W.; Schaefer, H. F. The Anharmonic Force Fields of PH₃, PHF₂, PF₃, PH₅, and H₃PO. Journal of Molecular Spectroscopy 1990, 140, 226–236.

Breidung, J.; Thiel, W.; Komornicki, A. Ab Initio Calculation of Harmonic Force Fields and Vibrational Spectra of the Fluoroarsines AsH_nF_3–n (n = 0–3) and the Fluoroarsoranes AsH_nF_5–n (n = 0–5). Inorganic Chemistry 1990, 30, 1067–1073.

Schneider, W.; Thiel, W. Anharmonic Force Fields from Analytic Second Derivatives: Method and Application to Methyl Bromide. Chemical Physics Letters 1989, 157, 367–373.