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Quantitative Structure-Activity Relationships Study on the Rate Constants of Polychlorinated Dibenzo-p-Dioxins with OH Radical

The OH-initiated reaction rate constants (k(OH)) are of great importance to measure atmospheric behaviors of polychlorinated dibenzo-p-dioxins (PCDDs) in the environment. The rate constants of 75 PCDDs with the OH radical at 298.15 K have been calculated using high level molecular orbital theory, an...

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Detalles Bibliográficos
Autores principales:	Qi, Chuansong, Zhang, Chenxi, Sun, Xiaomin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2015
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4581273/ https://www.ncbi.nlm.nih.gov/pubmed/26274950 http://dx.doi.org/10.3390/ijms160818812

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