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应用量子化学参数研究羧酸类化合物的结构与其萃取性能的相关性 ,并将二维结构参数应用到三维构效关系研究中 ,从而有效地改善了 Co MFA法的结果 ,用 p Ka值来表征羧酸类化合物的萃取性能 .
The relationship between the structure of carboxylic acids and their extraction performance was studied by means of quantum chemical parameters. The two-dimensional structure parameters were applied to the study of the three-dimensional structure-activity relationship, so as to effectively improve the results of Co MFA method. The p Ka value was used to characterize Carboxylic acids extraction performance.