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Localized molecular orbitals and electronic structure of buckminsterfullerene

✍ Scribed by Dennis S. Marynick; S. Estreicher

Publisher: Elsevier Science
Year: 1986
Tongue: English
Weight: 348 KB
Volume: 132
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(86)80630-3

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✦ Synopsis

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

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