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以最新发现的硼球烯结构D2dB40 1作为分子器件,我们首次对碱土金属内嵌硼球烯M@B40(M=Ca,Sr)和外挂硼球烯M&B40(M=Be,Mg)的可行性进行了系统研究2;同时,Jin等人对金属内嵌硼球烯M@B40(M=Sc,Y,La)存在的可能性进行了预测3.
金属内嵌硼球烯团簇M@B40+(M=Sc,Y,La,Ac)第一性原理理论研究
【摘 要】
：
以最新发现的硼球烯结构D2dB40 1作为分子器件,我们首次对碱土金属内嵌硼球烯M@B40(M=Ca,Sr)和外挂硼球烯M&B40(M=Be,Mg)的可行性进行了系统研究2;同时,Jin等人对金属内嵌硼
【机 构】
：
分子科学研究所,山西大学,太原030006;煤科学与技术教育部和山西省重点实验室,太原理工大学,太原030024煤科学与技术教育部和山西省重点实验室,太原理工大学,太原030024分子科学研究所,山西
【出 处】
：
第十一届华北地区五省市化学学术研讨会
【发表日期】
：
2015年8期
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