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Quantitative Structure-Retention Relationship Modeling of Gas Chromatographic Retention Times Based on Thermodynamic Data
Quantitative Structure-Retention Relationship Modeling of Gas Chromatographic Retention Times Based on Thermodynamic Data
Download2014-01-01
Heshmatollah Ebrahimi-Najafabadi,Teague M. McGinitie, James J. Harynuk
Thermodynamic parameters of ∆H(T0), ∆S(T0), and ∆Cp for 156 compounds comprising alkanes, alkyl halides and alcohols were determined for a 5% phenyl 95% methyl stationary phase. The determination of thermodynamic parameters relies on a Nelder-Mead simplex optimization to rapidly obtain the...
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