摘要
对从植物中提取的矶松素的大π电子体系进行ＨＭＯ计算．计算表明：矶松素可能具有较大的二阶极化率和可能存在双稳态结构。
In this paper we extracted plumbagin from natural plant and made a HMO study on it to predict the NLO property of this compound and the possibility as molecular electronic device. The results showed that the plumbagin molecule may be used as molecular electronic device material and NLO material.
出处
《海南大学学报（自然科学版）》
CAS
1999年第1期42-46,共5页
Natural Science Journal of Hainan University
基金
国家自然科学基金
海南省自然科学基金
