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. 2025 Apr 8;15(14):11098–11114. doi: 10.1039/d5ra01095k

Table 8. DFT parameters for DMF and protonated DMF terpolymer.

Parameters DMF Protonated DMF
HOMO −8.194 −8.104
LUMO −4.601 −4.688
ΔE 3.593 3.416
μ −6.397 −6.396
I 8.194 8.104
A 4.601 4.688
η 1.796 1.708
σ 0.557 0.585
χ 6.397 6.396
ω 36.759 34.939
ΔN −1.417 −1.346
Dipole moment 3.096 8.009