Computational determination of character table and symmetry of fullerenes cage as C24 and C28
Publish place: Iranian Chemical Communication، Vol: 4، Issue: 1
Publish Year: 1394
نوع سند: مقاله ژورنالی
زبان: English
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شناسه ملی سند علمی:
JR_ICC-4-1_009
تاریخ نمایه سازی: 1 مرداد 1397
Abstract:
Fullerene chemistry is nowadays a well-established field of both theoretical and experimentalinvestigations. This study considers the symmetry of small fullerenes cage C24 and C28. UsingPM3 program for C24 and C28 fullerenes, Oh and Td symmetry were confirmed, respectively. Thementioned algorithm to compute the automorphism group of these fullerenes with connectivityand geometry of their symmetry point groupswas improved . Here, we computedthe symmetryof 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 C24and 24 which has 5 conjugacy classes for C28, respectively. t ,Alsohe conjugacy classes andcharacter table were computed.
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Authors
Mahboube Eslami Moghadam
Chemistry and Chemical Engineering Research Center of Iran, Tehran, Iran
Abdolghafar Abolhosseini Shahrnoy
Department of Chemistry, Faculty of Sciences, Tarbiat Modares University, Tehran ۱۴۱۱۵-۱۷۵, Iran
Taghi Karimi
Department of Mathematics, Payame Noor University, P.O.BOX ۱۹۳۹۵-۳۶۹۷, Tehran, Iran
Satar Alyar
Department of Mathematics, Azad University, Bonab Branch, Bonab, Iran