Thermodynamic and QSRR Modeling of HPLC Retention on Modern Stationary Phases

This paper investigates correlations between the standard chromatographic parameter, log kw, obtained experimentally (classical thermodynamic) and obtained through the use of quantitative structure-retention relationships (QSRR) models (extrathermodynamic approach). QSRR models were created using descriptors from calculation chemistry, selected a priori on the basis of chemical intuition. Four modern analytical columns (packed with C18), often...