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  • 1
    Electronic Resource
    Electronic Resource
    First π-electron transitions in finite polymethine chains (1996)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 57 (1996), S. 913-918 
    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: In the present article, polymethine and annulene electronic spectra are described in a unique way by means of the Pariser-Parr-Pople method. The analytical expressions were derived for the first π-electron transitions energies. The character of the annulene spectra, like the character of the open-chain spectra, was shown to be dependent on the ratio between electron and site numbers. The Dahne's triad theory and the existence of finite energy gap in polymethines are discussed. © 1996 John Wiley & Sons, Inc.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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