Publikationen von Walter Thiel
Alle Typen
Zeitschriftenartikel (627)
1989
Zeitschriftenartikel
68 (2), S. 427 - 432 (1989)
Nonlinear transformation of anharmonic normal coordinate force constants. Molecular Physics 1988
Zeitschriftenartikel
153 (1), S. 76 - 81 (1988)
Analytical Second Derivatives for Effective Core Potentials. Chemical Physics Letters
Zeitschriftenartikel
132 (1), S. 193 - 206 (1988)
The Anharmonic Force Fields of Silyl Fluoride and Silyl Chloride. Journal of Molecular Spectroscopy
Zeitschriftenartikel
89 (8), S. 4965 - 4975 (1988)
The anharmonic force fields of HOF and F2O. The Journal of Chemical Physics
Zeitschriftenartikel
92 (20), S. 5597 - 5602 (1988)
Ab Initio Calculation of Harmonic Force Fields and Vibrational Spectra for the Fluorophosphines PHnF3−n (n = 0−3). The Journal of Physical Chemistry
Zeitschriftenartikel
92 (20), S. 5603 - 5611 (1988)
Ab Initio Calculation of Harmonic Force Fields and Vibrational Spectra for the Fluorophosphoranes PHnF5−n (n = 0−5). The Journal of Physical Chemistry
Zeitschriftenartikel
92 (20), S. 5611 - 5619 (1988)
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
Zeitschriftenartikel
9 (6), S. 702 - 707 (1988)
Comparison of Semiempirical MO Methods for Open-Shell Systems. Journal of Computational Chemistry
Zeitschriftenartikel
44 (24), S. 7393 - 7408 (1988)
SEMIEMPIRICAL METHODS: CURRENT STATUS AND PERSPECTIVES. Tetrahedron
Zeitschriftenartikel
163, S. 415 - 429 (1988)
FAST SEMIEMPIRICAL GEOMETRY OPTIMIZATIONS. Journal of Molecular Structure: Theochem 1987
Zeitschriftenartikel
86 (2), S. 923 - 936 (1987)
Ab initio calculation of harmonic force fields and vibrational spectra for the methyl, silyl, germyl, and stannyl halides. The Journal of Chemical Physics
Zeitschriftenartikel
8 (1), S. 48 - 50 (1987)
On the Importance of Size-Consistency Corrections in Semiempirical MNDOC Calculations. Journal of Computational Chemistry 1986
Zeitschriftenartikel
108 (25), S. 7985 - 7989 (1986)
Correlation Effects on Semiempirical Transition States. Journal of the American Chemical Society
Zeitschriftenartikel
138 (1-2), S. 141 - 150 (1986)
COMPARISON OF SEMIEMPIRICAL AND AB INITIO TRANSITION STATES FOR ORGANIC REACTIONS. Journal of Molecular Structure (Theochem)
Zeitschriftenartikel
7 (2), S. 213 - 218 (1986)
Reference Energies in Semiempirical Parametrizations. Journal of Computational Chemistry 1985
Zeitschriftenartikel
107 (15), S. 4422 - 4430 (1985)
Comparison of Semiempirical and ab Initio Transition States. Journal of the American Chemical Society
Zeitschriftenartikel
28 (3), S. 373 - 381 (1985)
THE REACTIVE EXCITED STATE OF NAPHTHVALENE AND ITS PHOTOCHEMISTRY: A QUALITATIVE AND QUANTITATIVE THEORETICAL INVESTIGATION. Journal of Photochemistry 1984
Zeitschriftenartikel
108 (3), S. 259 - 265 (1984)
SHAPE RESONANCES IN PHOTOIONIZATION: CORRELATION WITH STO-3G MO RESULTS. Chemical Physics Letters
Zeitschriftenartikel
34 (4), S. 399 - 405 (1984)
THEORETICAL ANALYSIS OF PHOTOELECTRON ANGULAR DISTRIBUTIONS IN HYDROGEN CHLORIDE. Journal of Electron Spectroscopy and Related Phenomena 1983
Zeitschriftenartikel
100 (4), S. 351 - 357 (1983)
SHAPE RESONANCES IN THE VALENCE-SHELL PHOTOIONIZATION OF CYANOGEN. Chemical Physics Letters