✦ LIBER ✦

C28

✍ Scribed by Michiel de Cleen

Book ID: 112992874
Publisher: Bohn Stafleu van Loghum
Year: 2009
Weight: 85 KB
Volume: 30
Category: Article
ISSN: 0167-1685
DOI: 10.1007/bf03080917

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Electronic properties of C28 and Hf@C28

Electronic properties of C28 and Hf@C28 clusters

✍ Zhi-quian Li; Bing-lin Gu; Ru-shan Han 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 366 KB

The structure and electronic properties of C2s and Hf@Cts clusters are studied using the DV-SCM method in the local density approximation. The Cxs cluster has an open electronic structure with four unpaired electrons. A tetravalent Hf atom could stabilize the cluster with an exceptional LUMO-HOMO ga

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✍ Jan M.L. Martin 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 444 KB

The relative energies of different structures of C28 have been studied by density functional theory using different exchangecorrelation functionals, including two with exact exchange contributions. A fullerene structure with Td symmetry (5A2 state) is found to be by far the most stable structure, fo