Browsing by Subject "Parametrization"

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    On the possibility of grafting conducting polymers into insulating ones
    (Elsevier, 1996) Bahçeci, S.; Toppare, L.; Yurtsever, E.
    The possibility of grafting between conducting polymers, like polypyrrole (PPy) and polyaniline (PAn), and insulating polymers, such as polybisphenol A carbonate (PC) and polyamide (PA), is studied via semi-empirical methods using the AM1 parametrization. Several experimental studies on the issue have previously revealed that a chemical interaction exists between the couples (PAn-PC, PPy-PC and PPy-PA) during the electrochemical synthesis of PAn and PPy in the insulating host matrices. Here we present additional theoretical evidence indicating that such grafting is possible, at least for small oligomers.

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