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. 2024 Feb 17;10(4):e26632. doi: 10.1016/j.heliyon.2024.e26632

Table 5.

Conceptual density functional theory parameters for the cinnamaldehyde derives Schiff base compounds.

CA3
Atom f⁻ f⁺ f⁰ CDD
N42 0.0461 0.0657 0.0559 0.0195
C43 0.0276 0.0604 0.0440 0.0328
CA4
N9 0.0629 0.0850 0.0739 0.0222
C10 0.0347 0.0651 0.0499 0.0304
CA9
N9 0.0488 0.0692 0.0590 0.0204
C10 0.0299 0.0718 0.0509 0.0419
CA10
N9 0.0659 0.0481 0.0570 −0.0177
C10 0.0274 0.0655 0.0465 0.0381