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Issue 11, 2001
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Obtaining the ‘best values’ of stability constants: the protonation constants of five thioether carboxylates as a case study

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Abstract

Computer speciation models often require large numbers of equilibrium constant values. For this purpose, state-of-the-art methods for experimental constant determination, best value constant selection from published values, and constant prediction based on quantitative structure–activity relationships, are evaluated through their application to the study of the protonation constants of five thioether carboxylates in aqueous solution at 37 °C and I = 150 mmol dm−3 (NaCl).

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Publication details

The article was received on 17 Jul 2001, accepted on 09 Aug 2001 and first published on 09 Oct 2001


Article type: Paper
DOI: 10.1039/B106341N
Analyst, 2001,126, 2093-2100

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    Obtaining the ‘best values’ of stability constants: the protonation constants of five thioether carboxylates as a case study

    M. Filella, M. G. Bugarín and P. M. May, Analyst, 2001, 126, 2093
    DOI: 10.1039/B106341N

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