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Isolated pentagon rule violating endohedral metallofullerenes explained using the Hückel rule: a statistical

Timothy J Fuhrer1, Angel M Lambert

  • 1Department of Chemistry, Radford University, Box 6949, Radford, Virginia, 24142.

Journal of Computational Chemistry
|November 5, 2014
PubMed

Keywords:
Hückel MOdensity functional theoryfullerenesisolated pentagon rulemetallofullerenesstatistical mechanics

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