Table 1.
The total potential energies of the simulated systems
| [C2mim]Cl (kcal/mol) | NaOH (kcal/mol) | |
|---|---|---|
| Sugar + system |
−3998.02 |
−22477.84 |
| Solvent only |
−4500.37 |
−22948.28 |
| ΔE |
502.36 |
470.44 |
| ΔΔE (per glucose) | −3.99 | |
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