The chapter two introduces the theories which we use, mainly involving the molecular dynamics, the molecular potential energy function and molecular structures.
第二章介绍我们所要用到的理论知识，主要是涉及分子动力学，分子势能函数和分子结构。
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.
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。
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