Research Article
Molecular Dynamics Simulations of CO2 Molecules in ZIF-11 Using Refined AMBER Force Field
Table 3
The parameters
and
of AMBER force field.
| | AMBER | | Types | | |
| | CR | 1.9080 | 0.0860 | | NA | 1.8240 | 0.1700 | | CC | 1.9080 | 0.0860 | | CA | 1.9080 | 0.0860 | | HC | 1.4870 | 0.0157 | | HA | 1.4590 | 0.0150 | | Zn | 1.9600 | 0.0125 | | C | 1.9080 | 0.0860 | |
O
| 1.6612 | 0.2100 |
|
|
