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Structural, Spectroscopic, and Theoretical Study of Ferrocene Ureidopeptides

✍ Scribed by Lapić, Jasmina; Pavlović, Gordana; Siebler, Daniel; Heinze, Katja; Rapić, Vladimir


Book ID
126801717
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
676 KB
Volume
27
Category
Article
ISSN
0276-7333

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A theoretical study of fullerene–ferroce
✍ Hong Seok Kang 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 419 KB

## 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