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Showing 1 to 1 of 1 for “"Acid dissociation constant (pKa)"”.
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Structure-property relationships of dyes as applied to dye-sensitized solar cells
… corresponding results from X-ray diffraction. Acid-base properties of carboxyl groups connected to pyridine ligands in N3 and N749 are theoretically calculated based on thermodynamics and density functional theory. Implicit and explicit models are both adopted to predict these acid dissociative …