Ab initio geometry and stability of a C120 torus

J. C. Greer, S. Itoh, S. Ihara

Research output: Journal PublicationArticlepeer-review

24 Citations (Scopus)


Previously reported calculations using a Stillinger-Weber type potential have predicted a remarkable stability for carbon toroidal forms. Semi-empirical calculations indicate cohesive energies for the smaller tori near that of C60 and stabilities comparable to graphite for the larger tori. A comparison of the cohesive energies for the smallest of the proposed tori C120 with icosahedral C60 is presented as determined from ab initio calculations. The results substantiate the semi-empirical calculations by verifying that the cohesive energy of the C120 torus is comparable to that of buckminsterfullerene. Optimized geometries, Koopmans' ionization potentials and HOMO-LUMO separations are also reported and compared to values obtained for C60.

Original languageEnglish
Pages (from-to)621-625
Number of pages5
JournalChemical Physics Letters
Issue number6
Publication statusPublished - 3 Jun 1994
Externally publishedYes

ASJC Scopus subject areas

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


Dive into the research topics of 'Ab initio geometry and stability of a C120 torus'. Together they form a unique fingerprint.

Cite this