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.
主要以乌桕脂与硬脂酸甲酯在固定化脂肪酶催化下的酯交换反应作为模型体系研究了无溶剂体系酶催化酯交换反应。
This paper mainly studied the lipase-catalyzed interesterification of Chinese vegetable tallow and methyl stearate to produce cocoa butter equivalent in solvent-free system.
建立了适合于描述溶剂效应的理论线性溶剂化能相关（TLSER）模型。
Theoretical linear solvation energy relationship(TLSER) which can be used to predict the relationship between physicochemical property and molecular structures of the solvents has been established.
建立了适合于描述溶剂效应的理论线性溶剂化能相关（TLSER）模型。
Theoretical linear solvation energy relationship(TLSER) which can be used to predict the relationship between physicochemical property and molecular structures of the solvents has been established.
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