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

doi:10.1039/b201864k

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 Journal › Article › Academic › peer-review

Abstract

This paper demonstrates the spontaneous formation of the much contested ferryl ion, Fe

Original language	English
Pages (from-to)	3619-3627
Journal	Physical Chemistry Chemical Physics - PCCP
Volume	4
Issue number	15
DOIs	https://doi.org/10.1039/b201864k
Publication status	Published - 2002

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

abstract = "This paper demonstrates the spontaneous formation of the much contested ferryl ion, Fe",

author = "B. Ensing and F. Buda and P. Blochl and E.J. Baerends",

year = "2002",

doi = "10.1039/b201864k",

language = "English",

volume = "4",

pages = "3619--3627",

journal = "Physical Chemistry Chemical Physics - PCCP",

issn = "1463-9076",

publisher = "Royal Society of Chemistry",

number = "15",

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T1 - A Car-Parrinello study of the formation of oxidizing intermediates from Fenton's reagent in aqueous solution

AU - Ensing, B.

AU - Buda, F.

AU - Blochl, P.

AU - Baerends, E.J.

PY - 2002

Y1 - 2002

N2 - This paper demonstrates the spontaneous formation of the much contested ferryl ion, Fe

AB - This paper demonstrates the spontaneous formation of the much contested ferryl ion, Fe

U2 - 10.1039/b201864k

DO - 10.1039/b201864k

M3 - Article

SN - 1463-9076

VL - 4

SP - 3619

EP - 3627

JO - Physical Chemistry Chemical Physics - PCCP

JF - Physical Chemistry Chemical Physics - PCCP

IS - 15

ER -

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

Abstract

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