Theoretical studies on the structures and energetics of C122H4 isomers

Hidekazu Shimotani, Nita Dragoe, Koichi Kitazawa

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)


The structure of a previously reported [60]fullerene dimer, C122H4, was analysed by theoretical methods. The predicted 13C NMR spectra of five possible structures of C122H4 were compared with the experimental spectrum. Energetic analysis showed that the relative stabilities of the isomers are most likely dominated by π-electron energies of the corresponding monomer C60H4.

Original languageEnglish
Pages (from-to)428-431
Number of pages4
JournalPhysical Chemistry Chemical Physics
Issue number3
Publication statusPublished - 2002 Feb 11
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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