Prediction of response factors for gas chromatography with flame ionization detection: Algorithm improvement, extension to silylated compounds, and application to the quantification of metabolites

We previously showed that the relative response factors of volatile compounds were predictable from either combustion enthalpies or their molecular formulae only 1. We now extend this prediction to silylated derivatives by adding an increment in the ab initio calculation of combustion enthalpies. Th...

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Bibliografiske detaljer
Udgivet i:J Sep Sci
Main Authors: de Saint Laumer, Jean‐Yves, Leocata, Sabine, Tissot, Emeline, Baroux, Lucie, Kampf, David M., Merle, Philippe, Boschung, Alain, Seyfried, Markus, Chaintreau, Alain
Format: Artigo
Sprog:Inglês
Udgivet: John Wiley and Sons Inc. 2015
Fag:
Gas Chromatography
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5049641/
https://ncbi.nlm.nih.gov/pubmed/26179324
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jssc.201500106
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