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  • 1
    Electronic Resource
    Electronic Resource
    MOLECULAR DYNAMICS STUDY OF THE COMPLEXATION OF LUMINESCENT CATIONS BY ENCAPSULATING LIGANDS WITH BIPYRIDINE UNITS (1997)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 10 (1997), S. 292-304 
    Details
    ISSN: 0894-3230
    Keywords: calixarenes ; bipyridine ; lanthanides ; luminescence ; preorganization ; solvent effect ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: ---Based on MD simulations, the structures of Eu3+ and EuCl3 complexes of bipyridine-substituted calixarenes in different environments (in vacuo and in acetonitrile and water solutions) were modelled. The data account for the differences in their luminescence properties. The role of the calixarene platform, preorganization of the ligands, and an explicit account of counterions in different environments are analysed. © 1997 John Wiley & Sons, Ltd.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
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