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. 2023 Oct 4;8(41):38243–38251. doi: 10.1021/acsomega.3c04570

Table 2. ΔG, ΔE, and ΔH (kj/mol) of Choline Chloride (ChCl), Citric Acid (CA), and the DES Conformers Were Computed Utilizing the ωB97xD Theory and a Basis Set of 6-311++G(d,p).

parameter ChCl CA eutectic-conformer A eutectic-conformer B eutectic-conformer C eutectic-conformer D eutectic-conformer E eutectic-conformer
ΔG (kJ/mol)     –57.67 –56.82 –53.72 –58.17 –60.15 –54.07
ΔE (kJ/mol)     –7.22 –8.24 –6.81 –7.86 –10.49 –7.24
ΔH (kJ/mol)     –4.74 –5.76 –4.33 –5.38 –8.01 –4.76