PHYS 108-Entrapment of metals and C2 inside fullerenes on the shrinking hot giant road: Quantum chemical molecular dynamics simulations

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作者
Irle, Stephan [1 ,4 ]
Wang, Zhi [2 ,5 ]
Finck, Benjamin Y. [2 ,5 ]
Zheng, Guishan [2 ,5 ]
Morokuma, Keiji [3 ]
机构
[1] Nagoya Univ, Inst Adv Res, Chikusa Ku, Nagoya, Aichi 4648602, Japan
[2] Emory Univ, Dept Chem, Atlanta, GA 30322 USA
[3] Kyoto Univ, Fukui Inst Fundamental Chem, Sakyo Ku, Dept Chem, Kyoto 6068103, Japan
[4] Nagoya Univ, Dept Chem, Chikusa Ku, Nagoya, Aichi 4648602, Japan
[5] Emory Univ, Cherry L Emerson Ctr Sci Computat, Atlanta, GA 30322 USA
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O6 [化学];
学科分类号
0703 ;
摘要
108-PHYS
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页数:1
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