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Showing 1 to 1 of 1 for “"degradation pathway prediction"”.
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Quantum chemical modeling of redox reactivity, degradation pathways and persistence for aqueous phase contaminants
… conditions necessary for redox-promoted degradation, and predicts degradation pathways as well as contaminant persistence. Hexamethylphosphoramide (HMPA), a widely used solvent and poorly characterized groundwater contaminant, is used as a test case. The development of an analytical …