Trapping of organophosphorus chemical nerve agents by pillar[5]arene: A DFT, AIM, NCI and EDA analysis

被引：0
|
作者：
Ambigapathy Suvitha
Natarajan Sathiyamoorthy Venkataramanan
机构：
[1] SASTRA University,Department of Chemistry, School of Chemical and Biotechnology
[2] SASTRA University,Center for Computational Chemistry and Materials Science (CCCMS)
来源：
Journal of Inclusion Phenomena and Macrocyclic Chemistry | 2017年 / 87卷
关键词：
DFT; Noncovalent interactions; MESP; AIM, Trapping, EDA;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
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页码：207 / 218
页数：11
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