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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Detalhes bibliográficos
Publicado no: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
Formato: Artigo
Idioma:Inglês
Publicado em: John Wiley and Sons Inc. 2015
Assuntos:
Gas Chromatography
Acesso em linha: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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