Figure 2 | Scientific Reports

Figure 2

From: A green compliant hand-held selective electrode device for monitoring active pharmaceuticals and the kinetics of their degradation

Figure 2

Panels (A and B) show optimized geometrical structures for 2:1 DG complexes with NCX6 and CX6 respectively as obtained using the B97D/6-31G(d,p) level of theory (6-31 + G(d,p) was used for oxygen atoms). Panels (C and D) show molecular electrostatic potential surfaces for the DG complexes with NCX6 and CX6 respectively as obtained from the gas phase optimized structures using cubegen utility in the Gaussian 16 package. The color code indicates electron rich (red) and electron deficient sites (blue).

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