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Electrostatic and aspheric influence of the fluoro-substitution of 4-bromodiphenyl ether (PBDE 3)

Accurate structure determinations by X-ray crystal analysis and computation using semi-empirical self-consistent field molecular orbital calculations are described and compared for 4-bromodiphenyl ether (PBDE 3), the (13)C(6)-isotopic labeled PBDE 3 ((13)C(6)-PBDE 3) and its five corresponding monof...

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Main Authors: Klösener, J., Swenson, D. C., Robertson, L. W., Luthe, G.
格式: Artigo
語言:Inglês
出版: 2008
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC3120100/
https://ncbi.nlm.nih.gov/pubmed/18204217
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S0108768107067079
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