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  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 36 (1989), S. 119-125 
    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: Static longitudinal polarizabilities αzz and cubic hyperpolarizabilities γzzzz are obtained by the FPT-INDO method for finite chain C4N+2H2N+4 (N = 1-15) models of polydiacetylene and polybutatriene. For the acetylenic structure the onset of saturation first becomes evident at about C14—C18 for the linear polarizability and C22—C26 for the cubic term. The values per C4H2 unit are accurately extrapolated to the infinite chain limit. In the case of the butatrienic structure, no saturation is observed through C54.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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