Publications

Journal Article (9)

1988
Journal Article
Breidung, J.; Thiel, W.; Komornicki, A. Analytical Second Derivatives for Effective Core Potentials. Chemical Physics Letters 1988, 153, 76–81.
Journal Article
Thiel, W.; Yamaguchi, Y.; Schaefer, H. F. The Anharmonic Force Fields of Silyl Fluoride and Silyl Chloride. Journal of Molecular Spectroscopy 1988, 132, 193–206.
Journal Article
Thiel, W.; Scuseria, G.; Schaefer, H. F.; Allen, W. D. The Anharmonic Force Fields of HOF and F2O. The Journal of Chemical Physics 1988, 89, 4965–4975.
Journal Article
Breidung, J.; Thiel, W. Ab Initio Calculation of Harmonic Force Fields and Vibrational Spectra for the Fluorophosphines PHnF3−n (n = 0−3). The Journal of Physical Chemistry 1988, 92, 5597–5602.
Journal Article
Breidung, J.; Thiel, W.; Komornicki, A. Ab Initio Calculation of Harmonic Force Fields and Vibrational Spectra for the Fluorophosphoranes PHnF5−n (n = 0−5). The Journal of Physical Chemistry 1988, 92, 5603–5611.
Journal Article
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 1988, 92, 5611–5619.
Journal Article
Higgins, D.; Thomson, C.; Thiel, W. Comparison of Semiempirical MO Methods for Open-Shell Systems. Journal of Computational Chemistry 1988, 9, 702–707.
Journal Article
Thiel, W. SEMIEMPIRICAL METHODS: CURRENT STATUS AND PERSPECTIVES. Tetrahedron 1988, 44, 7393–7408.
Journal Article
Thiel, W. FAST SEMIEMPIRICAL GEOMETRY OPTIMIZATIONS. Journal of Molecular Structure: Theochem 1988, 163, 415–429.
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