The relationship of retention data-molecular structure was researched with experimental method and calculated method by molecular structure parameters.

本文采用实验方法和通过分子结构参数计算方法对色谱保留值参数与分子结构参数进行了相关分析。

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It was suggested that quantitative structure parameters or molecular descriptors can give effective prediction of the critical volume.

研究表明，分子体积、分子支链化程度以及分子表面的静电分布等定量结构参数可以有效地估算有机物的临界体积。

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The structure of the molecular sieves is studied by means of X-ray diffraction, XPS, EPMA and IR spectrometry, and the unit cell parameters are measured with step scanning technique.

用X射线衍射、X射线光电子能谱、X射线电子探针、红外光谱等方法对分子筛进行了结构研究，并用阶梯扫描方法测得其晶胞参数。

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