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Computational determination of character table and symmetry of fullerenes cage as C24 and C28 | ||
| Iranian chemical communication | ||
| مقاله 10، دوره 4، Issue 1, pp. 1-132, Serial No. 10، فروردین 2016، صفحه 115-122 اصل مقاله (153.22 K) | ||
| نوع مقاله: Original Research Article | ||
| نویسندگان | ||
| Mahboube Eslami Moghadam* 1؛ Abdolghafar Abolhosseini Shahrnoy2؛ Taghi Karimi3؛ Satar Alyar4 | ||
| 1Chemistry and Chemical Engineering Research Center of Iran. Tehran, Iran. | ||
| 2Department of Chemistry, Faculty of Sciences, Tarbiat Modares University, Tehran 14115-175, Iran | ||
| 3Department of Mathematics, Payame Noor University, P. O. BOX 19395-3697, Tehran, Iran | ||
| 4Department of Mathematics, Azad University, Bonab Branch, Bonab, Iran | ||
| چکیده | ||
| Fullerene chemistry is nowadays a well-established field of both theoretical and experimental investigations. This study considers the symmetry of small fullerenes cage C24 and C28. Using PM3 program for C24 and C28 fullerenes, Oh and Td symmetry were confirmed, respectively. The mentioned algorithm to compute the automorphism group of these fullerenes with connectivity and geometry of their symmetry point groups was improved. Here, we computed the symmetry of these small fullerenes by simple method such as Groups, Algorithms and Programming (GAP) system. It was proved that there are groups of order 48 which has 10 conjugacy classes for C24 and 24 which has 5 conjugacy classes for C28, respectively. Also, the conjugacy classes and character table were computed. | ||
| کلیدواژهها | ||
| Character table؛ fullerene؛ symmetry؛ GAP؛ hyperchem | ||
| مراجع | ||
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