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  • Polymer and Materials Science  (2)
  • Electronic polarizability  (1)
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 70 (1986), S. 3-10 
    ISSN: 1432-2234
    Keywords: I-MNDO ; MNDO ; Hydrogen bond ; Ionization potential ; Water clusters ; Water dimer ; Electronic polarizability ; Parametrization
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Semi-empirical molecular orbital methods proposed up to now seriously fail to describe hydrogen bonded systems associated with (H2O) n . A new scheme of parametrization using a semi-empirical method is proposed. We tested hydrogen bonding associated with the water clusters (H2O) n . The results are found to be close to ab initio Hartree-Fock quality, indicating a good promise for studying hydrogen-bonding systems other than O-H...O moiety.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Chemistry Edition 17 (1979), S. 1103-1116 
    ISSN: 0360-6376
    Keywords: Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The excited state of pyrene observed in fluorescence and pulsed laser techniques is used to show that pyrene is solubilized in the polymer coil of aqueous solution of polymethacrylic acid (PMA) at pH 〈 4-5. This leads to a decreased access of molecules such as I-, Tl+, CH3NO2, and O2 to excited pyrene in the polymer coil. The protection of the excited state by solubilization in the polymer is sufficient to enable 3-bromopyrene phosphorescence to be observed at room temperature in these systems. Increasing the pH of the system uncoils the polymer and leads to increased accessibility of excited pyrene to CH3NO2; eventually, at pH 〉5, the pyrene is ejected into the aqueous phase of the system. In the presence of micellar solutions of surfactants increasing pH transports the pyrene from the polymer to the micellar aggregates. These fluorescence techniques are used to investigate the kinetics of expansion of the polymer coil. The system is suggested as a suitable model for the interaction of pyrene with biopolymers such as DNA.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Letters Edition 20 (1982), S. 467-472 
    ISSN: 0360-6384
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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