English Intern
    Prof. Dr. B. Engels

     

    39.       M. Peric, B. Engels, S. D. Peyerimhoff
    Ab initio study of the Renner-Teller Effect in the X2Pu electronic state of B2H2+
    J. Mol. Spectr., 1995, 17, 494-503.

    40.       M.-B. Huang, H.U. Suter, B. Engels, S. D. Peyerimhoff, S. Lunell
    A Multireference Configuration Interaction Study of the Azetidine Radical Cation and the neutral Azetidin-1-yl Radical
    J. Phys. Chem., 1995, 99, 9724-9729.

    41.       Wortmann-Saleh, S. Grimme, B. Engels, D. Müller, F. Vögtle
    A Study of the N-inversion barrier and the circular dicroism spectra of 1-thia-10-aza[2.2]metacyclophane
    Perkin Transaction 2,
    1995, 1185.

    42.       M. Peric, B. Engels
    Ab initio investigation of the vibronic and magnetic hyperfine effects in the X2Pu electronic state of B2H2+
    J. Mol. Spectr.,
    1995, 174, 334-352.

    43.       J. Clade, M. Jansen, B. Engels, C.M. Marian
    Synthese, Kristallstruktur und spektroskopische Charakterisierung von Tetraphosphorhexaoxid-monoselenid, P4O6Se
    Z. anorg. allg.
    Chem., 1995, 621, 2065-2069.

    44.       M. Peric, B. Engels, S. D. Peyerimhoff
    Theoretical Spectroscopy on Small Molecules: Ab initio Investigations of Vibronic Structure, Spin-Orbit Splittings and Magnetic Hyperfine Effects in the Electronic Spectra of Triatomic Molecules
    in Understanding Chemical Reactivity, Vol 13, Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
    (Ed.: S. R. Langhoff), Kluwer Academic Publishers, Dordrecht, (The Netherlands), 1995, 261-356.

    Kontakt

    Professur für Theoretische Chemie am Institut für Physikalische und Theoretische Chemie
    Emil-Fischer-Straße 42
    Campus Hubland Nord
    97074 Würzburg

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    Hubland Nord, Geb. 42