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Electronic structures of dihedral (D5h, D5d, D6h, D6d) fullerenes |
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| Authors: | Au Chin Tang Fu Qiang Huang |
| Institution: | a Institute of Theoretical Chemistry, Jilin University, Changchun 130023, People's Republic of China b Department of Chemistry, Beijing Normal University, Beijing 100875, People's Republic of China |
| Abstract: | By means of our proposed method for Hückel theory calculation, we have calculated the electronic structures of dihedral (D5h, D5d, D6h, D6d) fullerences, which are generated from icosahedral C20, C60, C80, C180, C240 and C540, respectively. From the calculated results of 1224 fullerence molecules, certain rules on the stability and chemical reactivity have been drawn for such types of dihedral fullerenes. |
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