Summary
Molecular modeling and energy calculations have been used to study the chromatographic separation of aromatic compounds on microcrystalline cellubose triacetate. A linear relationship has been found between the logarithms of the capacity factors and the energy values of the interaction of these compounds with this stationary phase. The interaction energies have been calculated for two different spatial dispositions of the solutes in relation to the sorbent.
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Alkorta, I., Elguero, J., Goya, P. et al. Energy calculations and computer modeling of chromatographic separations on microcrystalline cellulose triacetate. Chromatographia 27, 77–81 (1989). https://doi.org/10.1007/BF02290410
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DOI: https://doi.org/10.1007/BF02290410