한국염색가공학회지 (Textile Coloration and Finishing)

  • 제21권5호
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  • Pages.35-40
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  • 2009
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  • 1229-0033(pISSN)
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  • 2234-036X(eISSN)
한국염색가공학회 (The Korean Society of Dyers and Finishers)
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Electrochemical Studies on Heptamethine Cyanine Dyes

  • Kim, Young-Sung (BK 21 FTIT, Department of Organic Materials and Textile System Engineering, Chungnam National University) ;
  • Shin, Jong-Il (Chemical Biotechnology Research Center, Korea Research Institute of Chemical Technology) ;
  • Park, Soo-Youl (Chemical Biotechnology Research Center, Korea Research Institute of Chemical Technology) ;
  • Jun, Kun (Chemical Biotechnology Research Center, Korea Research Institute of Chemical Technology) ;
  • Son, Young-A (BK 21 FTIT, Department of Organic Materials and Textile System Engineering, Chungnam National University)
  • 발행 : 2009.10.27
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초록

Computational calculations of molecular orbital and electrochemical redox/oxidation potentials are of very importance to determine the compound properties. The energy levels of molecular orbital were calculated by the density function theory (DFT) with exchange correction functional of local density approximation (LSA) based on the Perdew-Wang (PWC) setting and cyclic voltammetry.

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참고문헌

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