Table 5.
Free Energy Differences (ΔΔAsolv) between Ethan-1-ol and Ethan-2-ol in Explicit Solvent in Kilocalories Per Mole
| ΔΔAsolv | |
|---|---|
| LD | −0.04 ± 0.05 |
| SGLDall | −0.03 ± 0.04 |
| SGLDEtOH | 0.02 ± 0.03 |
| −0.51 ± 1.24 | |
| −0.11 ± 0.05 |
Free Energy Differences (ΔΔAsolv) between Ethan-1-ol and Ethan-2-ol in Explicit Solvent in Kilocalories Per Mole
| ΔΔAsolv | |
|---|---|
| LD | −0.04 ± 0.05 |
| SGLDall | −0.03 ± 0.04 |
| SGLDEtOH | 0.02 ± 0.03 |
| −0.51 ± 1.24 | |
| −0.11 ± 0.05 |