Mechanistic analysis of nucleophilic substrates oxidation by functional models of vanadium-dependent haloperoxidases: A density functional theory study

European Journal of Inorganic Chemistry

Volumn , Issue 4, 2007, Pages 515-523

  Schneider, Curtis J ^a   Zampella, Giuseppe ^b   Greco, Claudio ^b   Pecoraro, Vincent L ^a   De Gioia, Luca ^b  

^a UNIVERSITY OF MICHIGAN   (United States)

^b UNIVERSITY OF MILANO BICOCCA   (Italy)

Author keywords

Density functional calculations; Oxidation; Peroxido ligands; Tripodal ligands; Vanadium

Indexed keywords

CHEMICAL ACTIVATION; CHLORINE COMPOUNDS; DENSITY FUNCTIONAL THEORY; OXIDATION; PROTONATION; SUBSTRATES; SULFUR COMPOUNDS; VANADIUM;

DENSITY FUNCTIONAL THEORY STUDIES; DENSITY-FUNCTIONAL CALCULATIONS; FUNCTIONAL MODELLING; HALOPEROXIDASE; MECHANISTIC ANALYSIS; PEROXIDO LIGAND; PROTONATIONS; SUBSTRATE OXIDATION; TRANSITION STATE; TRIPODAL LIGANDS;

LIGANDS;

EID: 34250839459     PISSN: 14341948     EISSN: 10990682     Source Type: Journal    
DOI: 10.1002/ejic.200600739     Document Type: Article

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