Scientific Publications

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), pp. 411 - 417 (1992)

Reetz, M. T.; Kanand, J.; Griebenow, N.; Harms, K.: Stereoselective Nucleophilic Addition Reactions of Reactive Pseudopeptides. Angewandte Chemie, International Edition in English 31 (12), pp. 1626 - 1629 (1992)

Reetz, M. T.; Haning, H.; Stanchev, S.: Ligand effects in selective carbonyl addition reactions of organomanganese and cerium reagents. Tetrahedron Letters 33 (46), pp. 6963 - 6966 (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), pp. 807 - 829 (1992)

Reetz, M. T.; Kayser, F.: Stereoselective synthesis of α,γ -diamino acid esters. Tetrahedron: Asymmetry 3 (11), pp. 1377 - 1380 (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), pp. 391 - 404 (1992)

Howard, S.T.; Hursthouse, M.B.; Lehmann, C. W.; Mallinson, P.R.; Frampton, C.S.: Experimental and theoretical study of the charge density in 2‐methyl‐4‐nitroaniline. The Journal of Chemical Physics 97 (8), pp. 5616 - 5630 (1992)

Nickel, T.; Pörschke, K.-R.; Goddard, R.; Krüger, C.: A copper(I) complex with chelating 1,5-hexadiene. Inorganic Chemistry 31 (21), pp. 4428 - 4430 (1992)

Jonas, V.; Frenking, G.; Reetz, M. T.: Theoretical studies of organometallic compounds. I. All electron and pseudopotential calculations of Ti(CH₃)_nCl_{4 − n} (n = 0–4). Journal of Computational Chemistry 13 (8), pp. 919 - 934 (1992)

Jonas, V.; Frenking, G.; Reetz, M. T.: Theoretical Studies of Organometallic Compounds. II. All Electron and Pseudopotential Calculations of M(CH₃)_nCl_4-n (M = C, Si, Ge, Sn, Pb; n = 0-4). Journal of Computational Chemistry 13 (8), pp. 935 - 943 (1992)

Stein, A.; Lehmann, C. W.; Luger, P.: Crystal structure of cyclobutane at 117 K. Journal of the American Chemical Society 114 (20), pp. 7684 - 7687 (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), pp. 3914 - 3919 (1992)

Bakowies, D.; Gelessus, A.; Thiel, W.: Quantum-chemical study of C₇₈ fullerene isomers. Chemical Physics Letters 197 (3), pp. 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), pp. 330 - 334 (1992)

Breidung, J.; Schneider, W.; Thiel, W.; Lee, T. J.: The vibrational frequencies of difluoroethyne. The Journal of Chemical Physics 97 (5), pp. 3498 - 3499 (1992)

Schomburg, G.; Deege, A.; Hinrichs, H.; Hübinger, E.; Husmann, H.: Preparation, purification, and analysis of alkylated cyclodextrins. Journal of High Resolution Chromatography 15 (9), pp. 579 - 584 (1992)

Schomburg, G.; Husmann, H.; Ruthe, S.; Herraiz, M.: Crosslinking of alkylpolysiloxane films on various types of glass surfaces including fused silica using γ-radiation of a⁶⁰cobalt-source. Comparison to crosslinking by thermal peroxid treatment. Chromatographia 15, pp. 599 - 610 (1992)

Schüth, F.: Polarized Fourier Transform Infrared Microscopy as a Tool for Structural Analysis of Adsorbates in Molecular Sieves. The Journal of Physical Chemistry 96 (19), pp. 7493 - 7496 (1992)

Vlachos, D. G.; Schüth, F.; Aris, R.; Schmidt, L. D.: Spatial and temporal patterns in catalytic oscillations. Physica A: Statistical Mechanics and its Applications 188 (1-3), pp. 302 - 321 (1992)

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 48 (8), pp. 1067 - 1082 (1992)