Nonempirical force field development for CO2 interactions with metal-organic frameworks having open-metal sites

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作者
Dzubak, Allison L. [1 ]
Lin, Li-Chiang [2 ]
Poloni, Roberta [2 ]
Maximoff, Sergey N. [2 ]
Smit, Berend [2 ]
Gagliardi, Laura [1 ]
机构
[1] Univ Minnesota Twin Cities, Dept Chem, Minneapolis, MN 55455 USA
[2] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA
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O6 [化学];
学科分类号
0703 ;
摘要
602-FUEL
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页数:1
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