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Journal of Chemistry
/
2013
/
Article
/
Fig 2
/
Research Article
Molecular Dynamics Simulations of CO
2
Molecules in ZIF-11 Using Refined AMBER Force Field
Figure 2
The possible configurations of CO
2
ā[C
7
H
5
N
2
]
ā
complexes used to determine the
ab initio
binding energies.
(a)
(b)
(c)
(d)
(e)
(f)
(g)
(h)