Electronic structures of dihedral (D5h, D5d, D6h, D6d) fullerenes期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Electronic structures of dihedral (D_5h, D_5d, D_6h, D_6d) fullerenes

Authors:	Au Chin Tang Fu Qiang Huang

Affiliation:	^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 (D_5h, D_5d, D_6h, D_6d) 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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