DFT study of the active intermediate in the Fenton reaction

Chemistry - A European Journal

Volumn 7, Issue 13, 2001, Pages 2775-2783

  Buda, Francesco ^a   Ensing, Bernd ^a   Gribnau, Michiel C M ^b   Baerends, Evert Jan ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

^b UNILEVER RESEARCH VLAARDINGEN   (Netherlands)

Author keywords

Catalysts; Density functional calculations; Fenton reaction; Oxidations

Indexed keywords

ACTIVATION ENERGY; CHEMICAL BONDS; COMPLEXATION; HYDROXYLATION; OXYGEN; PROBABILITY DENSITY FUNCTION;

OXIDIZING AGENTS;

CATALYSTS;

FERROUS ION; HYDROGEN; HYDROXYL RADICAL; IRON COMPLEX; WATER;

ARTICLE; CALCULATION; CATALYST; CHEMICAL BINDING; COMPLEX FORMATION; OXIDATION; REACTION ANALYSIS; SYNTHESIS;

EID: 0035796561     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3765(20010702)7:13<2775::AID-CHEM2775>3.0.CO;2-6     Document Type: Article

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