Localized molecular orbitals and electronic structure of buckminsterfullerene

Dennis S. Marynick, S. Estreicher

Research output: Contribution to journalArticlepeer-review

53 Scopus citations

Abstract

The method of PRDDO is employed to calculate the optimized geometry, energy of formation, ionization potential, bond orders, and localized molecular orbitals for Buckminsterfullerene (C60).

Original languageEnglish
Pages (from-to)383-386
Number of pages4
JournalChemical Physics Letters
Volume132
Issue number4-5
DOIs
StatePublished - Dec 19 1986

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