应用线性溶剂化能方法构建定量结构-性质相关(QSPR)模型。
Linear solvation energy technique was used to develop quantitative structure-property relationships (QSPR) model.
对溶剂化效应的连续介质模型，包括经典静电场模型和自洽反应场模型作了较为详细的讨论。
A detailed discussion is made on continuum model of solvent effects. Electrostatic model and self-consistent reaction field model are thoroughly reviewed.
在离散—连续组合模型中包含第一溶剂化层的溶剂分子已经可以较为近似地描述出溶剂化的主要作用。
The combined discrete-continuum model, which including the solvent molecules in the first solvation shell, is enough to simulate main effects.
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