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Electrochemical Studies on Heptamethine Cyanine Dyes

  • Textile Coloration and Finishing
  • Abbr : Text. Color. and Finish.
  • 2009, 21(5), pp.35-40
  • Publisher : The Korean Society Of Dyers And Finishers
  • Research Area : Engineering > Fiber Engineering > Dyeing Engineering

Young-Sung Kim 1 신종일 2 Park, Soo-Youl 2 JUN, KUN 2 Young-Sung Kim 1 Young-A Son 1

1충남대학교
2한국화학연구원

Accredited

ABSTRACT

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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