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Biomagnification of polychlorinated biphenyls (PCBs) in freshwater fish

✍ Scribed by Ralf Looser; Karlheinz Ballschmiter


Publisher
Springer
Year
1998
Tongue
English
Weight
173 KB
Volume
360
Category
Article
ISSN
1618-2650

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The rotational barriers of overcrowded PCBs are predicted by ab initio methods including electron correlation, thus settling the controversy between theory and experiment. For 2,2Ј,3,3Ј,4,6Ј-hexachlorobiphenyl (PCB 132), an enantiomerization barrier of 185 kJ/mol is calculated by B3LYP/6-31G\*, in e