Isolated pentagon rule violating endohedral metallofullerenes explained using the Hückel rule: A statistical mechanical study of the C84Isomeric Set

  • Timothy J. Fuhrer, Angel M. Lambert
  • Journal of Computational Chemistry, November 2014, Wiley
  • DOI: 10.1002/jcc.23774

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http://dx.doi.org/10.1002/jcc.23774

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