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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Detalles Bibliográficos
Autores principales: de Saint Laumer, Jean‐Yves, Leocata, Sabine, Tissot, Emeline, Baroux, Lucie, Kampf, David M., Merle, Philippe, Boschung, Alain, Seyfried, Markus, Chaintreau, Alain
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2015
Materias:
Gas Chromatography
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5049641/
https://www.ncbi.nlm.nih.gov/pubmed/26179324
http://dx.doi.org/10.1002/jssc.201500106

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5049641/
https://www.ncbi.nlm.nih.gov/pubmed/26179324
http://dx.doi.org/10.1002/jssc.201500106

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