Molecular Dynamics Simulation Prediction of the Partitioning Constants (K(H), K(iw), K(ia)) of 82 Legacy and Emerging Organic Contaminants at the Water–Air Interface

[Image: see text] The tendency of organic contaminants (OCs) to partition between different phases is a key set of properties that underlie their human and ecological health impacts and the success of remediation efforts. A significant challenge associated with these efforts is the need for accurate...

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Detalles Bibliográficos
Autores principales: Lemay, Amélie C., Sontarp, Ethan J., Martinez, Daniela, Maruri, Philip, Mohammed, Raneem, Neapole, Ryan, Wiese, Morgan, Willemsen, Jennifer A. R., Bourg, Ian C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10353008/
https://www.ncbi.nlm.nih.gov/pubmed/37014786
http://dx.doi.org/10.1021/acs.est.3c00267

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10353008/
https://www.ncbi.nlm.nih.gov/pubmed/37014786
http://dx.doi.org/10.1021/acs.est.3c00267

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