Excited States and Photodebromination of Selected Polybrominated Diphenyl Ethers: Computational and Quantitative Structure—Property Relationship Studies

This paper presents a density functional theory (DFT)/time-dependent DFT (TD-DFT) study on the lowest lying singlet and triplet excited states of 20 selected polybrominateddiphenyl ether (PBDE) congeners, with the solvation effect included in the calculations using the polarized continuum model (PCM...

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Detalles Bibliográficos
Autores principales: Luo, Jin, Hu, Jiwei, Wei, Xionghui, Li, Lingyun, Huang, Xianfei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4307296/
https://www.ncbi.nlm.nih.gov/pubmed/25569092
http://dx.doi.org/10.3390/ijms16011160

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4307296/
https://www.ncbi.nlm.nih.gov/pubmed/25569092
http://dx.doi.org/10.3390/ijms16011160

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