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Prediction of Depuration Rate Constants for Polychlorinated Biphenyl Congeners
[Image: see text] The integral equation formalism polarizable continuum model (IEF-PCM) for solvent effects with the default solvent (water) and solvent parameters, together with the density functional theory method at 6-31G(d) level, was used to optimize molecular structures for polychlorinated bip...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6761759/ https://www.ncbi.nlm.nih.gov/pubmed/31572862 http://dx.doi.org/10.1021/acsomega.9b02072 |