Pre-calculation of retention indices of aromatic compounds by computer on the basis of their molecular structures and thermodynamics in temperature-programmed gas chromatography

Theoretical and practical problems involved in teh pre-calculation of retention indices for benzene derivatives are considered in terms of similar problems with alkanes. The determination of increment values of the basis of thermodynamic data (bond energy and bond distance), the determination of inc...

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Bibliographic Details
Published in:Journal of Chromatography A 1978, Vol.148 (1), p.17-29
Main Authors: Fisch, I., Olácsi, I., Richter, M., Sinka, A.P., Takács, E.C., Takács, J.M., Vörös, J., Tarján, G.
Format: Article
Language:English
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Summary:Theoretical and practical problems involved in teh pre-calculation of retention indices for benzene derivatives are considered in terms of similar problems with alkanes. The determination of increment values of the basis of thermodynamic data (bond energy and bond distance), the determination of increment codes by means of a computer and the pre-calculation of retention indeces in classical gas—liquid and temperature-programmed gas chromatography are discussed.
ISSN:0021-9673
DOI:10.1016/S0021-9673(00)99317-8