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《Chinese Journal of Analytical Chemistry》 2003-04
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A Molecular Topological Research on the Gas Chromatography Retention Index of Alcohols

Du Xihua  (Research Laboratory of Statistical Chemistry, Xuzhou Education College, Xuzhou 221006) Feng Changjun (Department of Chemistry, Xuzhou Normal University, Xuzhou 221009)  
A characteristic value (t i)of atom i in a molecule is defined as t i=1+h ij, Then the hydrogen connectivity indeces of alcohols are calculated. Quantitative structure-retention relationships (QSRR)on gas chromatography retention index of 25 alcohols are proposed respectively by multiple linear regression method with good stability and predictability. The results demonstrate that the property of compounds can be described by the hydrogen connectivity index.
【Fund】: 江苏省高校自然科学研究项目 ( 0 2KJB15 0 0 0 8)
【CateGory Index】: O657.7
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