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Description of  Quantitative In Silico Chromatography: Computational Modelling of Molecular Interactions (RSC Chromatography Monographs, Volume 19)

The coupling of mass spectrometry or nuclear magnetic resonance to chromatography has broadened the possibilities for determining organic reaction mechanisms. And while many results have been published reporting these, even more can be achieved through modern computational methods. Combining computational and theoretical techniques with advanced chromatographic methods offers a powerful tool for quantitatively determining molecular interactions . Read more