Computational determination of character table and symmetry of fullerenes cage as C24 and C28
محل انتشار: فصلنامه ارتباطات شیمی ایران، دوره: 4، شماره: 1
سال انتشار: 1394
نوع سند: مقاله ژورنالی
زبان: انگلیسی
مشاهده: 411
فایل این مقاله در 8 صفحه با فرمت PDF قابل دریافت می باشد
- صدور گواهی نمایه سازی
- من نویسنده این مقاله هستم
استخراج به نرم افزارهای پژوهشی:
شناسه ملی سند علمی:
JR_ICC-4-1_009
تاریخ نمایه سازی: 1 مرداد 1397
چکیده مقاله:
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.
کلیدواژه ها:
نویسندگان
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