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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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| 出版年: | ACS Omega |
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| 第一著者: | |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
American Chemical Society
2019
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| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6761759/ https://ncbi.nlm.nih.gov/pubmed/31572862 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.9b02072 |
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