Zeitschriftenartikel (4584)

4561.
Zeitschriftenartikel
Thiel, W.: The Most Stable CNDO/2 Water Dimer. Theoretica Chimica Acta 48 (4), S. 357 - 359 (1978)
4562.
Zeitschriftenartikel
Schmidt, H.; Schweig, A.; Thiel, W.; Jones, Jr., M.: Photoelektronenspektren und MNDO-Rechnungen für [n]Paracyclophane. Chemische Berichte 111 (5), S. 1958 - 1961 (1978)
4563.
Zeitschriftenartikel
Hase, H. L.; Lauer, G.; Schulte, K.-W.; Schweig, A.; Thiel, W.: CALCULATED PHOTOELECTRON SPECTRA OF SINGLET AND TRIPLET METHYLENE. Chemical Physics Letters 54 (3), S. 494 - 497 (1978)
4564.
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 43 (1), S. 135 - 138 (1978)
4565.
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 33 (3), S. 383 - 385 (1978)
4566.
Zeitschriftenartikel
Schweig, A.; Thiel, W.: THEORETICAL STUDY OF COMPLEXES OF CYCLOBUTADIENE WITH CARBONMONOXIDE AND CARBONDIOXIDE. Tetrahedron Letters 19 (21), S. 1841 - 1844 (1978)
4567.
Zeitschriftenartikel
Thiel, W.: MNDOC: Molecular Orbital Calculations by the MNDO Method with Geometry Optimization. QCPE 11, S. 353 (1978)
4568.
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 99 (15), S. 4907 - 4917 (1977)
4569.
Zeitschriftenartikel
Dewar, M. J. S.; Thiel, W.: Ground States of Molecules. 38. The MNDO Method. Approximations and Parameters. Journal of the American Chemical Society 99 (15), S. 4899 - 4907 (1977)
4570.
Zeitschriftenartikel
Dewar, M. J. S.; Thiel, W.: A Semiempirical Model for the Two-Center Repulsion Integrals in the NDDO Approximation. Theoretica Chimica Acta 46 (2), S. 89 - 104 (1977)
4571.
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 99 (7), S. 2338 - 2339 (1977)
4572.
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 97 (16), S. 4540 - 4545 (1975)
4573.
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 97 (14), S. 3978 - 3986 (1975)
4574.
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 97 (15), S. 4439 - 4440 (1975)
4575.
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 31 (2), S. 286 - 290 (1975)
4576.
Zeitschriftenartikel
Schweig, A.; Thiel, W.: Photoionization cross sections in the valence electron approximation. III. Nonlinear molecules (theory). The Journal of Chemical Physics 60 (3), S. 951 - 957 (1974)
4577.
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 3 (1), S. 27 - 38 (1974)
4578.
Zeitschriftenartikel
Schweig, A.; Thiel, W.: Photoionization cross sections: He I- and He II-photoelectron spectra of homologous oxygen and sulphur compounds. Molecular Physics 27 (1), S. 265 - 268 (1974)
4579.
Zeitschriftenartikel
Schweig, A.; Thiel, W.: PHOTOIONIZATION CROSS SECTIONS: He I AND He II PHOTOELECTRON SPECTRA OF SATURATED THREE-MEMBERED RINGS. Chemical Physics Letters 21 (3), S. 541 - 543 (1973)
4580.
Zeitschriftenartikel
Dechant, P.; Schweig, A.; Thiel, W.: Photoionization Cross Sections: Differing Relative Band Intensities in He-I and He-II Photoelectron Spectra. Angewandte Chemie, International Edition in English 12 (4), S. 308 - 309 (1973)
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