Structure-mutagenicity relationships and energies of 1-, and 2-nitrotriphenylenes

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Pages (from-to)79-85
Number of pages7
JournalJournal of Molecular Structure: THEOCHEM
Volume899
Issue number1-3
DOIs
StatePublished - Apr 15 2009

ASJC Scopus Subject Areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Keywords

  • Biological activity
  • Density functional theory
  • LUMO energies
  • Mono-nitrated triphenylenes
  • Nitro group orientation

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