2021
DOI: 10.1016/j.microc.2021.106693
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New models involving quantum chemical parameters for assessing the chromatographic retention process

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“…Further, the PCT molecule can exist in solution as four conformers with different stability, potentially changing with pH. The planar-geometry trans-conformers (E or Z), more easily solvated than the nonplanar-geometry cis-conformers (E or Z), present an intramolecular bond between a benzene hydrogen atom and the carbonyl oxygen, introducing stabilisation in the trans-conformer planarity [55,56]. The intramolecular bonding in trans-conformers also adds stiffness to these structures, making their folding even more difficult but facilitating solvation.…”
Section: Effect Of Scan Ratementioning
confidence: 99%
“…Further, the PCT molecule can exist in solution as four conformers with different stability, potentially changing with pH. The planar-geometry trans-conformers (E or Z), more easily solvated than the nonplanar-geometry cis-conformers (E or Z), present an intramolecular bond between a benzene hydrogen atom and the carbonyl oxygen, introducing stabilisation in the trans-conformer planarity [55,56]. The intramolecular bonding in trans-conformers also adds stiffness to these structures, making their folding even more difficult but facilitating solvation.…”
Section: Effect Of Scan Ratementioning
confidence: 99%