## Abstract Using density functional theory within the generalized gradient approximation, I analyzed the electronic structure of a C~60~–ferrocene hybrid [= C FeCp] around HOMO in comparison with that of ferrocene, where C and Cp denote C~60~(CH~3~)~5~ and a cyclopentadienyl ring. HOMO–LUMO gap is
✦ LIBER ✦
CHLORINATED FULLERENES: A THEORETICAL STUDY
✍ Scribed by Mondini, Paolo; Cataldo, Franco
- Book ID
- 121481638
- Publisher
- Taylor and Francis Group
- Year
- 2001
- Tongue
- English
- Weight
- 191 KB
- Volume
- 9
- Category
- Article
- ISSN
- 1064-122X
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