II-orbitals in fullerenes

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

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
Volume5
Issue number2
Publication statusPublished - 1997

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Fullerenes
Wave functions
Excited states
fullerenes
wave functions
orbitals
Molecules
approximation
excitation
molecules

ASJC Scopus subject areas

  • Chemical Engineering(all)

Cite this

II-orbitals in fullerenes. / Udvardi, L.

In: Fullerene Science and Technology, Vol. 5, No. 2, 1997, p. 419-427.

Research output: Contribution to journalArticle

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