Theoretical prediction of some novel nanotubes composed of macrocyclic structures: A DFT study

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• 作者：Hamid Reza Masoodi ; ^{h.r.masoodi@vru.ac.ir} ; Sotoodeh Bagheri ; Reza Ranjbar-Karimi
• 关键词：Nanotube ; π-conjugated macrocycle ; Benzene ; Borazine ; Alumazene
• 刊名：Chemical Physics Letters
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：667
• 期：Complete
• 页码：327-331
• 全文大小：566 K
• 卷排序：667

文摘

Some macrocycles composed of borazine and alumazene rings have been studied. Their potential utility for the creation of new nanotubes has been investigated. Some structural and electronic properties of the nanotubes have been examined.