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Electronic Structure of C 28 , Pa@C 28 , and U@C 28

✍ Scribed by Zhao, Ke; Pitzer, Russell M.


Book ID
121497197
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
284 KB
Volume
100
Category
Article
ISSN
0022-3654

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Electronic properties of C28 and Hf@C28
✍ Zhi-quian Li; Bing-lin Gu; Ru-shan Han πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 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