云南化工2018，Vol.45Issue(4)：91-94,4.DOI:10.3969/j.issn.1004-275X.2018.04.069
环氧丁二酸的结构和性质的理论研究
Theoretical Study on Structure and Properties of trans-Epoxysuccinic Acid
摘要
Abstract
The structure and properties(bond length and bond angle,charges,oscillation intensity,thermodynamic properties,molecule activity and stability)of trans-Epoxysuccinic Acid have been studied by Dmol3,which can obtained parameters of the geometry,atomic net charges and frequence. The calculated results show that trans-Epoxysuccinic Acid is active to get electr-on,and oxygen atom in the epoxygroup is the electrophilic reaction site with other materials关键词
环氧丁二酸/分子特性/Dmol3程序/量化计算Key words
trans-Epoxysuccinic acid/molecular structure/property/DMol3 process/quantμm chemical calculation分类
通用工业技术引用本文复制引用
于冰冰,徐敬尧,张超..环氧丁二酸的结构和性质的理论研究[J].云南化工,2018,45(4):91-94,4.
