摘要
采用量子化学从头算方法研究了壳聚糖－戊二醛交联膜的稳定结构，研究了壳聚糖和戊二醛通过氨醛缩合形成阳离子膜的几何构型、键能、键序和电子迁移，讨论了膜的成键形式和稳定性．
The Structure of Chitosan membrane were studied by Ab inito quantum chemical calculation. The calculation showed that combination of amino group and aldehyde group were the most stable structure. The calculation discussed the geometric configuration energy. The transter of electronic cloud and ford order of anion membrane.
出处
《分子科学学报》
CAS
CSCD
2000年第2期82-87,共6页
Journal of Molecular Science
基金
国家自然科学基金!59374169
关键词
壳聚糖
量子化学从头算
戊二醛
交联膜
chitosan membrane
quantum ab initio calculation
membrane structure studies.
