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Density functional theory (DFT; M06-2X(PCM)/6-311G(d,p)) optimized structures for the studied fungicides. (A) p-Aminobenzoic acid. (B) Carbendazim. (C) Difenoconazole. (D) Dipicolinic acid. (E) Flusilazole. (F) Gentamicin. (G) Kojic acid. (H) Prochloraz. (I) Quinolinic acid. (J) Thiophanate methyl. (K) Thiram. All molecules are shown at the same scale to allow size comparisons.
