Keywords alkyl phosphate, butendioic acid dialkylesters, methyl acrylate, sodium methylate, molecular structure, Density Functional Theory, solvent effect;

• 亚磷酸二甲酯;顺丁烯二酸二甲酯;丙烯酸甲酯;甲醇钠;分子结构;密度泛函理论;溶剂效应;