MOLECULAR SIMULATIONS Force fields for carbon capture

被引：3
|
作者：
Getman, Rachel B. [1 ]
机构：
[1] Clemson Univ, Dept Chem & Biomol Engn, Coll Engn & Sci, Clemson, SC 29634 USA
来源：
NATURE CHEMISTRY | 2012年 / 4卷 / 10期
关键词：
METAL-ORGANIC FRAMEWORKS; HYDROGEN; STORAGE; METHANE; DESIGN;
D O I：
10.1038/nchem.1461
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Force fields have been generated that enable accurate simulations of interactions occurring between CO2 molecules and metal–organic frameworks featuring 'open' metal sites, which are promising for carbon capture applications.
引用
收藏
页码：777 / 778
页数：3
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