Zeitschriftenartikel (626)

1979
Zeitschriftenartikel
Woynar, H.; Schäfer, H.; Berndt, A.; Thiel, W.; Schweig, A. Konformation sterisch gehinderter Anilin-Kationradikale und Benzyl-Kationen. Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie 1979, 34, 1339–1340.
Zeitschriftenartikel
Schweig, A.; Thiel, W. MNDO Study of Tetra-tert-butyltetrahedrane and Tetra-tert-butylcyclobutadiene and of Their Thermal Interconversion. Journal of the American Chemical Society 1979, 101, 4742–4743.
1978
Zeitschriftenartikel
Thiel, W. The Most Stable CNDO/2 Water Dimer. Theoretica Chimica Acta 1978, 48, 357–359.
Zeitschriftenartikel
Schmidt, H.; Schweig, A.; Thiel, W.; Jones, Jr., M. Photoelektronenspektren und MNDO-Rechnungen für [n]Paracyclophane. Chemische Berichte 1978, 111, 1958–1961.
Zeitschriftenartikel
Hase, H. L.; Lauer, G.; Schulte, K.-W.; Schweig, A.; Thiel, W. CALCULATED PHOTOELECTRON SPECTRA OF SINGLET AND TRIPLET METHYLENE. Chemical Physics Letters 1978, 54, 494–497.
Zeitschriftenartikel
Dewar, M. J. S.; Ford, G. P.; McKee, M. L.; Rzepa, H. S.; Thiel, W.; Yamaguchi, Y. SEMIEMPIRICAL CALCULATIONS OF MOLECULAR VIBRATIONAL FREQUENCIES: THE MNDO METHOD. Journal of Molecular Structure 1978, 43, 135–138.
Zeitschriftenartikel
Eck, V.; Lauer, G.; Schweig, A.; Thiel, W.; Vermeer, H. Erzeugung und Untersuchung des Cyclopentadienons mit der Methode der temperaturabhängigen Photoelektronenspektroskopie. Zeitschrift fuer Naturforschung, Teil A: Physik, Physikalische Chemie, Kosmophysik 1978, 33, 383–385.
Zeitschriftenartikel
Schweig, A.; Thiel, W. THEORETICAL STUDY OF COMPLEXES OF CYCLOBUTADIENE WITH CARBONMONOXIDE AND CARBONDIOXIDE. Tetrahedron Letters 1978, 19, 1841–1844.
Zeitschriftenartikel
Thiel, W. MNDOC: Molecular Orbital Calculations by the MNDO Method with Geometry Optimization. QCPE 1978, 11, 353.
1977
Zeitschriftenartikel
Dewar, M. J. S.; Thiel, W. Ground States of Molecules. 39. MNDO Results for Molecules Containing Hydrogen, Carbon, Nitrogen, and Oxygen. Journal of the American Chemical Society 1977, 99, 4907–4917.
Zeitschriftenartikel
Dewar, M. J. S.; Thiel, W. Ground States of Molecules. 38. The MNDO Method. Approximations and Parameters. Journal of the American Chemical Society 1977, 99, 4899–4907.
Zeitschriftenartikel
Dewar, M. J. S.; Thiel, W. A Semiempirical Model for the Two-Center Repulsion Integrals in the NDDO Approximation. Theoretica Chimica Acta 1977, 46, 89–104.
Zeitschriftenartikel
Dewar, M. J. S.; Thiel, W. MINDO/3 Study of the Addition of Singlet Oxygen (1ΔgO2) to 1,3-Butadiene. Journal of the American Chemical Society 1977, 99, 2338–2339.
1975
Zeitschriftenartikel
Dewar, M. J. S.; Haddon, R. C.; Li, W.-K.; Thiel, W.; Weiner, P. K. Ground States of Molecules. XXXI. MINDO/3 Study of CH2, NH2+, and O2. Journal of the American Chemical Society 1975, 97, 4540–4545.
Zeitschriftenartikel
Dewar, M. J. S.; Thiel, W. Ground States of Molecules. XXX. MINDO/3 Study of Reactions of Singlet (1Δg) Oxygen with Carbon-Carbon Double Bonds. Journal of the American Chemical Society 1975, 97, 3978–3986.
Zeitschriftenartikel
Dewar, M. J. S.; Griffin, A. C.; Thiel, W.; Turchi, I. A Possible Mechanism for the Formation of Oxiranes in Reactions of Singlet Molecular Oxygen with Olefins. Journal of the American Chemical Society 1975, 97, 4439–4440.
Zeitschriftenartikel
Dewar, M. J. S.; Komornicki, A.; Thiel, W.; Schweig, A. CALCULATION OF PHOTOIONIZATION CROSS SECTIONS USING AB-INITIO WAVEFUNCTIONS AND THE PLANE WAVE APPROXIMATION. Chemical Physics Letters 1975, 31, 286–290.
1974
Zeitschriftenartikel
Schweig, A.; Thiel, W. Photoionization cross sections in the valence electron approximation. III. Nonlinear molecules (theory). The Journal of Chemical Physics 1974, 60, 951–957.
Zeitschriftenartikel
Schweig, A.; Thiel, W. PHOTOIONIZATION CROSS SECTIONS: INTERPRETATION OF BAND INTENSITIES IN He I AND He II PHOTOELECTRON SPECTRA. Journal of Electron Spectroscopy and Related Phenomena 1974, 3, 27–38.
Zeitschriftenartikel
Schweig, A.; Thiel, W. Photoionization cross sections: He I- and He II-photoelectron spectra of homologous oxygen and sulphur compounds. Molecular Physics 1974, 27, 265–268.
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