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Fig. 11 | BMC Chemistry

Fig. 11

From: Experimental and theoretical study for removal of trimethoprim from wastewater using organically modified silica with pyrazole-3-carbaldehyde bridged to copper ions

Fig. 11

Graphical representation of the LRDs, a \({f}_{k}^{\pm }, \mathbf{b} {\sigma }_{k}^{\pm }\), c \({\omega \sigma }_{k}^{\pm }\), and d the local dual descriptors, (\({f}_{k}^{2}\), Δσk and Δωk) based on Fukui Functions of the TMP compound obtained using B3LYP/6–31 + G(d,p) level of theory in aqueous solution (the atom-numbering is in correspond with Fig. 1a)

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