Publikationen von Walter Thiel

Thiel, W.; Voityuk, A. A.: Extension of MNDO to d orbitals: parameters and results for silicon. Journal of Molecular Structure (Theochem) 313, S. 141 - 154 (1994)

Thiel, W.: Recent Theoretical Fullerene Research. Chimia 48 (9), S. 447 - 448 (1994)

Heinemann, C.; Herrmann, W. A.; Thiel, W.: Theoretical study of stable silylenes and germylenes. Journal of Organometallic Chemistry 475 (1-2), S. 73 - 84 (1994)

Bürger, H.; Kuna, R.; Ma, S.; Breidung, J.; Thiel, W.: The vibrational spectra of krypton and xenon difluoride: High‐resolution infrared studies and ab initio calculations. The Journal of Chemical Physics 101, S. 1 - 14 (1994)

Bühl, M.; Thiel, W.; Jiao, H.; Schleyer, P. v. R.; Saunders, M.; Anet, F. A. L.: Helium and Lithium NMR Chemical Shifts of Endohedral Fullerene Compounds: An ab Initio Study. Journal of the American Chemical Society 116 (13), S. 6005 - 6006 (1994)

Breidung, J.; Thiel, W.: Theoretical study of the harmonic and anharmonic force fields of phosphorus pentafluoride. Journal of Molecular Structure 320, S. 39 - 47 (1994)

Heinemann, C.; Thiel, W.: Ab initio study on the stability of diaminocarbenes. Chemical Physics Letters 217 (1-2), S. 11 - 16 (1994)

Hoos, R.; Naughton, A. B.; Thiel, W.; Vasella, A.; Weber, W.; Rupitz, K.; Withers, S. G.: D-Gluconhydroximo-1,5-lactam and Related N-Arylcarbamates Theoretical Calculations, Structure, Synthesis, and Inhibitory Effect on β-Glucosidases. Helvetica Chimica Acta 76 (7), S. 2666 - 2686 (1993)

Kolb, M.; Thiel, W.: Beyond the MNDO model: Methodical considerations and numerical results. Journal of Computational Chemistry 14 (7), S. 775 - 789 (1993)

Kolb, M.; Thiel, W.: Beyond the MNDO model: Methodical considerations and numerical results. Journal of Computational Chemistry 14 (7), S. 775 - 789 (1993)

Hein, T. A.; Thiel, W.; Lee, T. J.: Ab Initio Study of the Stability and Vibrational Spectra of Plumbane, Methylplumbane, and Homologous compounds. The Journal of Chemical Physics 97 (17), S. 4381 - 4385 (1993)

Slanina, Z.; François, J.-P.; Bakowies, D.; Thiel, W.: Fullerene C₇₈ isomers: temperature dependence of their calculated relative stabilities. Journal of Molecular Structure (Theochem) 279, S. 213 - 216 (1993)

Kolb, M.; Thiel, W.: MNDO Parameters for Helium: Optimization, Tests, and Application to Endohedral Fullerene—Helium Complexes. Journal of Computational Chemistry 14 (1), S. 37 - 44 (1993)

Slanina, Z.; François, J.-P.; Kolb, M.; Bakowies, D.; Thiel, W.: Calculated Relative Stabilities of C₈₄. Fullerene Science and Technology 1 (2), S. 221 - 230 (1993)

Bakowies, D.; Kolb, M.; Thiel, W.; Richard, S.; Ahlrichs, R.; Kappes, M. M.: Quantum-chemical study of C₈₄ fullerene isomers. Chemical Physics Letters 200 (4), S. 411 - 417 (1992)

Thiel, W.; Voityuk, A. A.: Extension of MNDO to d Orbitals: Parameters and Results for the Halogens. International Journal of Quantum Chemistry 44 (5), S. 807 - 829 (1992)

Thiel, W.; Voityuk, A. A.: Extension of the MNDO formalism to d orbitals: Integral approximations and preliminary numerical results. Theoretica Chimica Acta 81 (6), S. 391 - 404 (1992)

Ernsting, N. P.; Arthen-Engeland, T.; Rodriguez, M. A.; Thiel, W.: State‐selectivity of excited‐state intramolecular proton transfer in a ‘‘double’’ benzoxazole: Jet spectroscopy and semiempirical calculations. The Journal of Chemical Physics 97 (6), S. 3914 - 3919 (1992)

Bakowies, D.; Gelessus, A.; Thiel, W.: Quantum-chemical study of C₇₈ fullerene isomers. Chemical Physics Letters 197 (3), S. 324 - 329 (1992)

Brumm, M.; Frenking, G.; Thiel, W.; Breidung, J.: Large discrepancies between the theoretically predicted and experimentally observed vibrational frequencies of ONCl₂⁺ and ONClF⁺. Chemical Physics Letters 197 (3), S. 330 - 334 (1992)