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Predicting Stability Constants for Terbium(III) Complexes with Dipicolinic Acid and 4-Substituted Dipicolinic Acid Analogues using Density Functional Theory

[Image: see text] The relative stability constants of Tb(III) complexes exhibiting binding to a series of 4-substituted analogues of dipicolinic acid (2,6-pyridinedicarboxylic acid) (DPA) were calculated using density functional theory (DFT) with the standard thermodynamic cycle. DFT calculations sh...

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Veröffentlicht in:ACS Omega
Hauptverfasser: Chen, Hsieh, Shi, Rena, Ow, Hooisweng
Format: Artigo
Sprache:Inglês
Veröffentlicht: American Chemical Society 2019
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6906780/
https://ncbi.nlm.nih.gov/pubmed/31858052
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.9b02851
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