Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5379387 | Chemical Physics Letters | 2016 | 5 Pages |
Abstract
•Calculates an accurate heat of formation for sumanene by means of W1h theory.•Obtains a heat of formation for C60 via reactions involving corannulene and sumanene.•The reaction energies are calculated by means of G4(MP2) theory.•Suggests that the experimental heat of formation for C60 should be revised downwards.
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