Parity Alternation of Silicon-doped Ternary Cationic Clusters HCnSi2＋ （n = 1~9）①

• 作 者: QI Jia-Yuan ZHU Huan-Huan HUAN
• 机 构: DepartmentofChemistry,FujianProvincialKeyLaboratoryofTheoreticalandComputationalChemistry
• 出 处: 结构化学
• 发表日期: 2014年7期
• 关键词: 硅掺杂 奇偶 三元 阳离子 集群 结构系统 离子簇 原子电荷 silicon-doped carbon clusters HCnSi2＋ ternary c
• 基金项目: This work was supported by the Research Fund for the Doctoral Program of Higher Education of China （RFDP, 20123514120003） and Foundations of Fuzhou University （0041-600566 and 2012-XQ-12）

Systematic study on the electronic/geometrical structures and the parity alternation effect of silicon-doped ternary cationic clusters HC+nSi2(n = 1~9) have been carried out at the coupled cluster level. The ground-state(G-S) isomers of the clusters have