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Zero-valent iron has been intensively investigated in chemical reduction of nitrate in water, but the reduction requires acidic or weak acidic pH conditions and the product of the reduction is exclusively ammonium, an even more toxic substance. Zero-valent aluminum is a stronger reductant than iron, but its use for the reduction of aqueous nitrate requires considerably alkaline pH conditions. In this...
Polybrominated diphenyl ethers (PBDEs) are a group of important persistent organic pollutants. In the present study, geometrical optimization and electrostatic potential calculations have been performed for all 209 PBDE congeners at the HF/6-31G ∗ level of theory. A number of statistically-based parameters have been obtained. Linear relationships between gas-chromatographic relative retention...
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