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
Link To Document :
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