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Methodological Approaches to the Calculation and Prediction of Retention Indices in Capillary Gas Chromatography

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JOURNAL OF ANALYTICAL CHEMISTRY
卷 73, 期 3, 页码 207-220

出版社

MAIK NAUKA/INTERPERIODICA/SPRINGER
DOI: 10.1134/S1061934818030127

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gas chromatography; retention indices; additive models; prediction; molecular descriptor; QSPR; structure-property relationship

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The scientific achievements in the field of calculation and prediction of gas chromatographic indices of retention of organic compounds on standard nonpolar polydimethylsiloxane stationary phases of capillary chromatographic columns are analyzed. Approaches based on the study of correlation dependences with the use of physicochemical, fragment, and quantum-chemical descriptors, topological indices, and various additive models are described.

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