The Nobel Prize in Chemistry , 2000 : Conductive polymers
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DFT studies of all fluorothiophenes and their radical cations as candidate monomers for conductive polymers
In this paper, electronic, structural, and spectroscopic properties of mono-, di-, tri-, andtetrafluorothiophenes and their radical cations are studied using the density functional theory andB3LYP method with 6-311++G** basis set. Also the effects of the number and position of thesubstituent on the electrochemical properties of the thiophene ring have been studied usingoptimized structures obta...
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تاریخ انتشار 2000