Quantitative structure-retention molecular interaction

Most of the aforementioned studies represent quantitative structure-retention relationship studies where a series of analytes are used as probes of enantiodiscrimination. There are, however, a number of atomistic molecular modeling studies where the interactions of chiral guests (analytes) with chiral hosts (CSPs) are explicitly determined. Here guest and host are considered as transient diastereomeric complexes and both liquid and gas chromatographic separations have been modeled. 

For the development of a quantitative structure-retention relationship (QSRR) in chromatography, the molecular interaction energy values between a model phase and an analyte can be calculated. The optimized energy value... 

---