Table 3.
Molecule | ΔGexp | ΔGsalt exp | ΔGAMOEBA | ΔGsalt AMOEBA |
---|---|---|---|---|
(CH3)2PH2+ | −57 | −131.5 | −47.87 | −134.37 |
CH3PH3+ | −63 | −137.5 | −51.80 | −138.30 |
(CH3)2SH+ | −64.5 | −139 | −51.53 | −138.03 |
CH3SH2+ | −74 | −148.5 | −57.54 | −144.04 |
CH3NH3+ | −76.4 | −150.9 | −68.16 | −154.66 |
(CH3)2NH2+ | −68.6 | −143.1 | −63.01 | −149.51 |
HC(OH)NH2+ | −78 | −152.5 | −67.31 | −153.81 |
C6H5NH3+ | −72.4 | −146.9 | −63.15 | −149.65 |
C5H5NH+ | −58 | −132.5 | −52.19 | −138.69 |
imidazoleH+ | −64 | −138.5 | −54.45 | −140.95 |
CH3C(OH)CH3+ | −77.1 | −151.6 | −53.57 | −140.07 |
(CH3)2OH+ | −79.7 | −154.2 | −59.01 | −145.51 |
CH3CH2OH2+ | −88.4 | −162.9 | −68.32 | −154.82 |
CH3OH2+ | −93 | −167.5 | −73.75 | −160.25 |
CH3O− | −95 | −198.2 | −105.67 | −197.47 |
HCO2− | −76.2 | −179.4 | −91.27 | −183.07 |
CH3S− | −73.8 | −177 | −85.13 | −176.93 |
C6H5S− | −63.4 | −166.6 | −67.25 | −159.05 |