Table 1 The total potential energies of the simulated systems
From: Production and extraction of sugars from switchgrass hydrolyzed in ionic liquids
| Â | [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 | |