Molecular Dynamics Simulations of CO2 Molecules in ZIF-11 Using Refined AMBER Force Field
Figure 5
The obtained (a) C1-CO2, (b) C3-CO2, (c) C4-CO2, and (d) H1-CO2 RDFs of SIM I (—X–C, ––X–O) and SIM II (– –X–C, X–O) when X=C1, C3, C4, and H1, respectively.