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. 2025 Jun 9;16(27):12212–12226. doi: 10.1039/d5sc02936h

Table 3. Madelung energies εM based on Mulliken and Löwdin charges for H2CO3, NaHCO3, and Na2CO3.

System ε M Mulliken (kJ·mol−1 ) ε M Löwdin (kJ·mol−1 )
H2CO3 −1807 −1042
NaHCO3 −2108 −1401
Na2CO3 −2356 −1763