Planar vs non-planar structure of gaseous catechol in the S0 state: An ab initio study

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Pages (from-to)235-240
Number of pages6
JournalJournal of Molecular Structure: THEOCHEM
Volume682
Issue number1-3
DOIs
StatePublished - Aug 31 2004

ASJC Scopus Subject Areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Keywords

  • Ab initio
  • Basis set effects
  • Catechol
  • Correlation effects

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