Chloroquinea Chloroquinea Chloroquinea Chloroquinea Chloroquinea
Solvation energy (kJ/mol) Solvation energy (kJ/mol) Solvation energy (kJ/mol) Solvation energy (kJ/mol) Solvation energy (kJ/mol)
Species ΔGun# ΔGne ΔGc ΔV (Å3)
B3LYP/6-311++G** method B3LYP/6-311++G** method B3LYP/6-311++G** method B3LYP/6-311++G** method
S(-) -42.49 12.58 -55.07 1.9
R(+) -48.00 11.91 -59.91 2.2