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Prediction of Gas Chromatographic Retention Indices of Organophosphates by DFT and VSMP Method |
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| Authors: | LIU Hong-Yana MO Ling-Yun LI Yan-Hong YI Zhong-Sheng |
| Institution: | [1]College of Chemistry and Bioengineering,Guilin University of Technology, Cruilin, Guangxi 541004, China [2]Guangxi Key Laboratory of Environmental Engineering,Protection and Assessment, Institute of Technology, Guilin, Guangxi 541004, China |
| Abstract: | |
| Keywords: | polychlorinated dibenzothiophenes（PCDTs） retention indices（RI） density functional theory（DFT） variable selection and modeling based on prediction（VSMP） quantitative structure-retention relationship（QSRR） |
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