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  • 1965-1969  (3)
  • 1
    Electronic Resource
    Electronic Resource
    Etude théorique d'une chaine polyénique infinie par la méthode LCAO-SCF-CO (1967)
    Springer
    Theoretical chemistry accounts 9 (1967), S. 123-132 
    Details
    ISSN: 1432-2234
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Résumé La méthode LCAO-SGF-CO permet de montrer que dans une chaine polyénique infinie, les liaisons sont alternativement courtes et longues.
    Abstract: Zusammenfassung Das LCAO-SCF-CO-Rechenverfahren bietet die Möglichkeit, in einer unendlichen Polyenkette festzustellen, da\ die Bindungen abwechselnd kurz und lang sind.
    Notes: Abstract The LCAO-SCF-CO method is used to show that an infinite polyenic chain exhibits marked bond alternation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00529946
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  • 2
    Electronic Resource
    Electronic Resource
    Theoretical study of isoelectronic systems: Diazomethane, ketene and allene (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 1013-1025 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: All-electron SCF-LCAO-MO computations for diazomethane, ketene and allene are presented. The basis functions are contracted Gaussian orbitals. Theoretical results are discussed and related to available experimental data.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030620
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  • 3
    Electronic Resource
    Electronic Resource
    Electronic structure of graphite (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 983-999 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Semi-empirical calculations of the π-band structure of planar and three-dimensional graphite are described. Special attention is given to the significance of band parameters. The theoretical results are in good agreement with experiment.
    Additional Material: 15 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030618
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