Density functional crystal orbital study of cyano-substituted poly(para-phenylene-vinylene) and poly(quinoxaline-vinylene)

F Bartha, IA Howard, P. Geerlings, C Van Alsenoy, D. Vanderzande, TJ Cleij, F Bogar

Research output: Contribution to journalArticleAcademicpeer-review

Original languageEnglish
Pages (from-to)1912-1923
JournalInternational Journal of Quantum Chemistry
Volume106
Issue number8
DOIs
Publication statusPublished - Jul 2006

Keywords

  • conducting polymers
  • ionization potential
  • electron affinity
  • PPV
  • band structure

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