Title of article
Computational determination of character table and symmetry of fullerenes cage as C24 and C28
Author/Authors
Eslami Moghadam ، Mahboube Chemistry and Chemical Engineering Research Center of Iran , Abolhosseini Shahrnoy ، Abdolghafar - Tarbiat Modares University , Karimi ، Taghi - Payame Noor University , Alyar ، Satar - Azad University, Bonab Branch
Pages
8
From page
115
To page
122
Abstract
Fullerene chemistry is nowadays a wellestablished 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.
Keywords
Character table , fullerene , symmetry , GAP , hyperchem
Journal title
Iranian Chemical Communication
Serial Year
2016
Journal title
Iranian Chemical Communication
Record number
2460997
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