The role of helicity in PFAS resistance to degradation: DFT simulation of electron capture and defluorination
Matt McTaggart,
Cécile Malardier-Jugroot
Abstract:Defluorination of perfluorinated alkyl substances (PFASs) via the direct capture of excess electrons poses a promising path to environmental decontamination. Herein we show that quantum-chemical model optimization methods can be...
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