Structures and Stabilities of Rings Composed of C20 Cages

摘要：

The ring structures with Dnh,Dn,Cnnv and Cnh symmetries composed of C20 cages have been investigated using the self-consistent field molecular orbital method with Gamess software package. It is found that the formation of the C20-rings is favorable to stability of the C 20 systems. The influence of structure symmetries and distortion on the stabilities of the C20-rings is explored. The strain change due to the structure distortion greatly affects the stabilities of the C20-rings. Furthermore, the bonding and electronic properties of the C20-ring are also discussed and compared with those of other fullerene-rings such as C60-rings and C36-rings.

作者: 刘莹 王果 黄元河

作者单位: 北京师范大学化学学院，新街口外大街19＃，北京，100875

会议类型: 国际会议

会议名称: The 3rd International Conference of Molecular Simulations and Applied Informatics Technologies(第三届国际分子模拟与信息技术应用学术会议)

会议地点: 杭州

会议语种:英文

页码: 636-637

在线出版日期: 2007-04-01（万方平台首次上网日期，不代表论文的发表时间）