Fullerenes C60-C80: Enumeration of ezohedral substitution isomers and methods of thermodynamical properties esimation.part Ⅰ

摘要：

1.Introduction Isomer substitutions over C60 -, C70 -, C72 -, C74 -, C76 -, Q78 -and C80 -fullerene vertices are discussed. The isomer derivation is given on the ba sis of Poya theorem 1 .Symmetry formulas Z,produ cing functions for the determination of the number of chiral and achiral isomer substitutions,isomer distribu tions overp(m) families depending on the number m of substitution places are ascertained. The additive scheme based on the model 2 for the estimation of gaseous carbon clusters C60 - C100 properties is obtained and calculations of△fH°98k,S°98K,C°p298k,△Hcy6n,△fG°298k,lgAp298 gaseous clusters not explored experi mentally are performed.

作者: Smolyakov V.M. Sokolov D.V. Nilov D.Yu Grebeshkov V.V. Fedin D.M.

作者单位: Tver State University,Russia Sadovy pereulok,35,Tver,170002 Russia

会议类型: 国际会议

会议名称: The 10th China-Russia System on Advanced Materials and Technologies(第十届中俄新材料新工艺研讨会)

会议地点: 浙江嘉兴

会议语种:英文

页码: 626-629

在线出版日期: 2009-10-20（万方平台首次上网日期，不代表论文的发表时间）