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Impact of internal electron transfer on the structure of C74 Encapsulating Sc and la metal atom impurities

  • Dept. Phys., ATM Gen. Sci., J.
  • Computational Center for Molecular Structure and Interactions

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Pages (from-to)2253-2260
Number of pages8
JournalInternational Journal of Quantum Chemistry
Volume107
Issue number12
DOIs
StatePublished - Oct 2007

ASJC Scopus Subject Areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Keywords

  • Aromaticity
  • Density functional theory (DFT)
  • Electron transfer
  • Fullerenes
  • Metal impurities

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