Fig_4.tif (2.87 MB)

Frontier electron densities on carbon and oxygen atoms of TBBPA anion (A) and TBBPA radical (B).

figure

posted on 2015-10-02, 03:30 authored by Ruijuan Qu, Mingbao Feng, Xinghao Wang, Qingguo Huang, Junhe Lu, Liansheng Wang, Zunyao Wang

Black number is the FED²_HOMO + FED²_LUMO value, and blue number is the 2FED²_HOMO value. Different colors of ellipsoids in HOMO and LUMO orbitals represent different phases, respectively.

History

Usage metrics

Keywords

removal Toxicity Assessment Tetrabromobisphenol ion chromatography analysis TBBPA frontier electron densities brominated flame retardants ozone oxidation ozonation benzene ring cleavage

Licence

CC BY 4.0

Exports

RefWorks

BibTeX

Ref. manager

Endnote

DataCite

NLM