一种新的C_(32)异构体  

A new structural isomer of C_(32)

作　　者：张存华[1] 闫冰[1] 王志刚[1] 范鲜红[1] 连科研[1] 盖志强[1] 张秀兰[1] 潘守甫[1] 

机构地区：[1]吉林大学原子与分子物理研究所

出　　处：《原子与分子物理学报》2005年第2期382-384,共3页Journal of Atomic and Molecular Physics

摘　　要：我们构造出一种新的类笼形C32异构体,不包含五边形和六边形结构,具有D2h对称性。采用密度泛函理论DFT的rb3lyp方法在6 31G(d)基组水平上进行了相关计算。计算结果表明它是一种稳定的构型。We obtained a new structural isomer of C_(32) with D_(2h) symmetry, It's structures that are not formed by pentagons and hexagons, the Density Functional Theory (DFT) RB3LYP method have been performed at the 6-31G(d) level, our calculated results have shown the structure is stable.

关 键 词：C32 异构体 稳定性 

分 类 号：O641[理学—物理化学]