Journal of Chromatography A 2012 DOI: 10.1016/j.chroma.2012.01.047 View full text
Raouf Ghavami, Bakhtyar Sepehri

Abstract: In this paper, based on the general interaction properties function (GIPF) family descriptors computed at the B3LYP/6-31G* level in Gaussian98 software, a significant quantitative structure-retention relationship (QSRR) models for the high resolution gas chromatographic relative retention time (HRGC-RRT) of all PCB congeners on 18 different HRGC capillary columns were constructed by using multiple linear regression (MLR) analysis, following the guidelines for development and validation of QSRR models. By means…

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