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Assessment of Density Functionals, Semiempirical Methods, and SCC-DFTB for Protonated Creatinine Geometries

Creatinine concentrations in blood and urine can be used to detect renal insufficiencies and muscle diseases, but current chemical sensors cannot measure creatinine with sufficient selectivity and robustness because they lack a receptor that binds protonated creatinine (creatininium) selectively eno...

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Main Authors: Settergren, Nicole M., Bühlmann, Philippe, Amin, Elizabeth A.
Format: Artigo
Sprog:Inglês
Udgivet: 2008
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2504755/
https://ncbi.nlm.nih.gov/pubmed/19122761
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.theochem.2008.04.010
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