Title of article
Electronic structures and stability rules of tetrahedral fullerenes
Author/Authors
Au Chin Tang and Fu Qiang Huang، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1996
Pages
12
From page
562
To page
573
Abstract
According to the topologies of tetrahedral (T, Td and Th) fullerenes, we have calculated the electronic structures of these molecules by means of our proposed method for Hückel chemistry calculation. According to the number of carbon atoms, the tetrahedral fullerenes are divided into three classes: Class 1 with n = 12N, Class 2 with n = 12N + 4 and Class 3 with n = 12N + 8, where n is the number of carbon atoms and N is a non-negative integer determined by group properties. From the calculated results, we have found: the molecules of Class 1 are closed-shell, those of Class 2 are open shell and those of Class 3 are open shell or pseudo-closed shell.
Journal title
Chemical Physics Letters
Serial Year
1996
Journal title
Chemical Physics Letters
Record number
1777873
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