环境有机污染物分子的反应活性数据库

#环境有机污染物分子的反应活性数据库介绍

The Peking University Environmental Nanotechnology Group focus on application of functional nanomaterials for water remediation. Our group leads the researches on environmental application and implication of titanate nanomaterials, and it is one of the most famous research groups in this area.our group built up the Peking University Reactive Sites for Organic Compounds Database (PKU-REOD), which covers the data on key parameters of organic compounds, such as Fukui index, surface electrostatic potential (ESP), Natural Population Analysis (NPA) charge, and so on. A mode calculation method on reactive species attack on organic compounds and their degradation pathway is proposed, based on which we offer theoretical calculation supports for more than 100 groups over the world. The group members have published >200 research papers in high-level journals, such as Journal of the American Chemical Society, Environmental Science & Technology, Water Research, etc.

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#环境有机污染物分子的反应活性数据库截图