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Electronic structures of dihedral (D5h, D5d, D6h, D6d) fullerenes

✍ Scribed by Au Chin Tang; Fu Qiang Huang

Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
548 KB
Volume
250
Category
Article
ISSN
0009-2614

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✦ Synopsis

By means of our proposed method for Hi3ckel theory calculation, we have calculated the electronic structures of dihedral (Dsh, D~, D6h, Deal) fullerenes, which are generated from icosahedral C2o, C6o, Cso, C,so, C24o and Cs4 o, respectively. From the calculated results of 1224 fullerene molecules, certain roles on the stability and chemical reactivity have been drawn for such types of dihedral fullerenes.

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