title: Obtaining the 'best values' of stability constants: the protonation constants of five thioether carboxylates as a case study.
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 degrees C and I = 150 mmol dm(-3) (NaCl).
authors.affiliation: Department of Inorganic, Analytical and Applied Chemistry, University of Geneva, Switzerland. montserrat.filella@cabe.unige.ch
authors.forename: M
authors.initials: M
authors.lastname: Filella
authors.forename: M
authors.initials: M
authors.lastname: García Bugarín
authors.forename: P M
authors.initials: PM
authors.lastname: May