Journal Article (4381)

1982
Journal Article
Boche, G.; Etzrodt, H.; Marsch, M.; Thiel, W. The Dianion 1,2-Diphenylbenzocyclobutadienediide. Angewandte Chemie, International Edition in English 1982, 21, 132–133.
Journal Article
Boche, G.; Etzrodt, H.; Marsch, M.; Thiel, W. The Dianion 1,2,3,4-Tetraphenylcyclobutadienediide. Angewandte Chemie, International Edition in English 1982, 21, 133.
Journal Article
Thiel, W. MNDOC: Correlated Semiempirical Calculations with Geometry Optimization. QCPE Bulletin 1982, 2, 63.
1981
Journal Article
Kreile, J.; Schweig, A.; Thiel, W. EXPERIMENTAL AND THEORETICAL INVESTIGATION OF THE PHOTOIONIZATION OF ACETYLENE. Chemical Physics Letters 1981, 79, 547–552.
Journal Article
Thiel, W. A COMPARATIVE THEORETICAL STUDY OF PHOTOIONIZATION CROSS SECTIONS AND ANGULAR DISTRIBUTIONS. Chemical Physics 1981, 57, 227–243.
Journal Article
Thiel, W. Semiempirical NDDO Calculations with STO-3G and 4-31G Basis Sets. Theoretica Chimica Acta 1981, 59, 191–208.
Journal Article
Schweig, A.; Thiel, W. MNDOC Study of Excited States. Journal of the American Chemical Society 1981, 103, 1425–1431.
Journal Article
Thiel, W. MNDOC Study of Reactive Intermediates and Transition States. Journal of the American Chemical Society 1981, 103, 1420–1425.
Journal Article
Thiel, W. The MNDOC Method, a Correlated Version of the MNDO Model. Journal of the American Chemical Society 1981, 103, 1413–1420.
Journal Article
Thiel, W.; Weiner, P.; Stewart, J.; Dewar, M. J. S. MNDOC: Modified Neglect of Diatomic Overlap. QCPE 1981, 1, 73–74.
1980
Journal Article
Kos, A.; Poppinger, D.; von Ragué Schleyer, P.; Thiel, W. C2Li6 STRUCTURAL ISOMERS. Tetrahedron Letters 1980, 21, 2151–2154.
Journal Article
Schweig, A.; Thiel, W. The C4H4CO Potential Surface. Reactions Involving Bicyclo[2.1.0]Pentenone. Journal of Computational Chemistry 1980, 1, 129–133.
Journal Article
Thiel, W. Multipole Analysis of MNDO Results. Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics 1980, 76, 302–308.
1979
Journal Article
Lauer, G.; Schulte, K.-W.; Schweig, A.; Thiel, W. Geometry Optimizations with Explicit Inclusion of Electron Correlation. Theoretica Chimica Acta 1979, 52, 319–328.
Journal Article
Müller, C.; Schweig, A.; Thiel, W.; Grahn, W.; Bergman, R. G.; Vollhardt, K. P. C. Photoelectron Spectra of 2,5-Dehydrotropylidene, 3,6-Dehydrooxepin, and Fulvenallene. Journal of the American Chemical Society 1979, 101, 5579–5581.
Journal Article
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.
Journal Article
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
Journal Article
Thiel, W. The Most Stable CNDO/2 Water Dimer. Theoretica Chimica Acta 1978, 48, 357–359.
Journal Article
Schmidt, H.; Schweig, A.; Thiel, W.; Jones, Jr., M. Photoelektronenspektren und MNDO-Rechnungen für [n]Paracyclophane. Chemische Berichte 1978, 111, 1958–1961.
Journal Article
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.
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