Publications of Walter Thiel

Thiel, W.: Nonlinear transformation of anharmonic normal coordinate force constants. Molecular Physics 68 (2), pp. 427 - 432 (1989)

Breidung, J.; Thiel, W.; Komornicki, A.: Analytical Second Derivatives for Effective Core Potentials. Chemical Physics Letters 153 (1), pp. 76 - 81 (1988)

Thiel, W.; Yamaguchi, Y.; Schaefer, H. F.: The Anharmonic Force Fields of Silyl Fluoride and Silyl Chloride. Journal of Molecular Spectroscopy 132 (1), pp. 193 - 206 (1988)

Thiel, W.; Scuseria, G.; Schaefer, H. F.; Allen, W. D.: The anharmonic force fields of HOF and F₂O. The Journal of Chemical Physics 89 (8), pp. 4965 - 4975 (1988)

Breidung, J.; Thiel, W.: Ab Initio Calculation of Harmonic Force Fields and Vibrational Spectra for the Fluorophosphines PH_nF_3−n (n = 0−3). The Journal of Physical Chemistry 92 (20), pp. 5597 - 5602 (1988)

Breidung, J.; Thiel, W.; Komornicki, A.: Ab Initio Calculation of Harmonic Force Fields and Vibrational Spectra for the Fluorophosphoranes PH_nF_5−n (n = 0−5). The Journal of Physical Chemistry 92 (20), pp. 5603 - 5611 (1988)

Schneider, W.; Thiel, W.; Komornicki, A.: Ab Initio Calculation of Harmonic Force Fields and Vibrational Spectra for the Phosphine Oxides and Sulfides R₃PY (R = H, F, CH₃; Y = O, S). The Journal of Physical Chemistry 92 (20), pp. 5611 - 5619 (1988)

Higgins, D.; Thomson, C.; Thiel, W.: Comparison of Semiempirical MO Methods for Open-Shell Systems. Journal of Computational Chemistry 9 (6), pp. 702 - 707 (1988)

Thiel, W.: SEMIEMPIRICAL METHODS: CURRENT STATUS AND PERSPECTIVES. Tetrahedron 44 (24), pp. 7393 - 7408 (1988)

Thiel, W.: FAST SEMIEMPIRICAL GEOMETRY OPTIMIZATIONS. Journal of Molecular Structure: Theochem 163, pp. 415 - 429 (1988)

Schneider, W.; Thiel, W.: Ab initio calculation of harmonic force fields and vibrational spectra for the methyl, silyl, germyl, and stannyl halides. The Journal of Chemical Physics 86 (2), pp. 923 - 936 (1987)

Cremer, D.; Thiel, W.: On the Importance of Size-Consistency Corrections in Semiempirical MNDOC Calculations. Journal of Computational Chemistry 8 (1), pp. 48 - 50 (1987)

Schröder, S.; Thiel, W.: Correlation Effects on Semiempirical Transition States. Journal of the American Chemical Society 108 (25), pp. 7985 - 7989 (1986)

Schröder, S.; Thiel, W.: COMPARISON OF SEMIEMPIRICAL AND AB INITIO TRANSITION STATES FOR ORGANIC REACTIONS. Journal of Molecular Structure (Theochem) 138 (1-2), pp. 141 - 150 (1986)

Hicks, M. G.; Thiel, W.: Reference Energies in Semiempirical Parametrizations. Journal of Computational Chemistry 7 (2), pp. 213 - 218 (1986)

Schröder, S.; Thiel, W.: Comparison of Semiempirical and ab Initio Transition States. Journal of the American Chemical Society 107 (15), pp. 4422 - 4430 (1985)

Halevi, E. A.; Thiel, W.: THE REACTIVE EXCITED STATE OF NAPHTHVALENE AND ITS PHOTOCHEMISTRY: A QUALITATIVE AND QUANTITATIVE THEORETICAL INVESTIGATION. Journal of Photochemistry 28 (3), pp. 373 - 381 (1985)

Kreile, J.; Schweig, A.; Thiel, W.: SHAPE RESONANCES IN PHOTOIONIZATION: CORRELATION WITH STO-3G MO RESULTS. Chemical Physics Letters 108 (3), pp. 259 - 265 (1984)

Thiel, W.: THEORETICAL ANALYSIS OF PHOTOELECTRON ANGULAR DISTRIBUTIONS IN HYDROGEN CHLORIDE. Journal of Electron Spectroscopy and Related Phenomena 34 (4), pp. 399 - 405 (1984)

Kreile, J.; Schweig, A.; Thiel, W.: SHAPE RESONANCES IN THE VALENCE-SHELL PHOTOIONIZATION OF CYANOGEN. Chemical Physics Letters 100 (4), pp. 351 - 357 (1983)