A Car-Parrinello study of the formation of oxidizing intermediates from Fenton's reagent in aqueous solution

B. Ensing, F. Buda, P. Blochl, E.J. Baerends

Research output: Contribution to JournalArticleAcademicpeer-review

Abstract

This paper demonstrates the spontaneous formation of the much contested ferryl ion, Fe
Original languageEnglish
Pages (from-to)3619-3627
JournalPhysical Chemistry Chemical Physics - PCCP
Volume4
Issue number15
DOIs
Publication statusPublished - 2002

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