II-orbitals in fullerenes

Research output: Contribution to journalArticle

1 Citation (Scopus)


The measure of the pi content of the canonical orbitals is defined for semiempirical wave-functions and demonstrated for various fullerenes. The excited states of the molecules are characterized in respect of the π → π* and σ → π* transitions. The study was performed within the CNDO/S approximations.

Original languageEnglish
Pages (from-to)419-427
Number of pages9
JournalFullerene Science and Technology
Issue number2
Publication statusPublished - Jan 1 1997


ASJC Scopus subject areas

  • Chemical Engineering(all)

Cite this