Prediction of High-Performance Liquid Chromatographic Retention Data of Carboxamides and Oxadiazoles
- 1 July 1994
- journal article
- research article
- Published by Taylor & Francis in Journal of Liquid Chromatography
- Vol. 17 (12) , 2615-2623
- https://doi.org/10.1080/10826079408013401
Abstract
Regression models that predict the high-performance liquid chromatographic retention behavior of carboxamides and oxadiazoles were proposed. A new intermolecular interaction parameter was developed that combines dispersion interaction and total water solvation shell surface energy ratio of structural(o, m, p) isomers to form nonpolar bonding constant descriptor. Also resonance effect constant and field effect constant were used as electronic descriptor. A three-variable model indicated high multiple correlation(R>0.996) between the observed and the calculated values.Keywords
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