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检索条件"作者=WEI GongMin1,PU ZhiFeng2.ZOU Rong3,LI GuoLiang2.3 & LUO Qiong2.3 1Department of Physics,Capital Normal University,beijing 100048,china"
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Isomerization of B_6,B_6^- and B_6^+ clusters
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Science china Chemistry 2010年 第1期53卷 202-209页
作者: wei gongmin1,pu zhifeng2.zou rong3,li guoliang2.3 & luo qiong2.3 1department of physics,capital normal university,beijing 100048,china 2State Key Laboratory of Explosion Science and Technology beijing Institute of Technology,beijing 100081,china 3Center for Computational Quantum Chemistry,South china normal university,Guangzhou 510631,china 1. department of physics Capital Normal University Beijing 100048 China2. State Key Laboratory of Explosion Science and Technology Beijing Institute of Technology Beijing 100081 China3. Center for Computational Quantum Chemistry South China Normal University Guangzhou 510631 China
The interconversions between isomers with the same spin multiplicity of neutral B6 and charged B6-and B6+ clusters have been investigated at the B3LYP/6-311+G level of theory,including determination of the minimum ene... 详细信息
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