Theoretical Studies on Structures, Properties and Dominant Debromination Pathways for Selected Polybrominated Diphenyl Ethers

The B3LYP/6-311+G(d)-SDD method, which considers the relativistic effect of bromine, was adopted for the calculations of the selected polybrominated diphenyl ethers (PBDEs) in the present study, in which the B3LYP/6-311+G(d) method was also applied. The calculated values and experimental data for st...

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Detalles Bibliográficos
Autores principales: Li, Lingyun, Hu, Jiwei, Shi, Xuedan, Ruan, Wenqian, Luo, Jin, Wei, Xionghui
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4926460/
https://www.ncbi.nlm.nih.gov/pubmed/27322242
http://dx.doi.org/10.3390/ijms17060927

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4926460/
https://www.ncbi.nlm.nih.gov/pubmed/27322242
http://dx.doi.org/10.3390/ijms17060927

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