Theoretical study of the hydroxylation of phenols mediated by an end-on bound superoxo-copper(II) complex

Journal of Biological Inorganic Chemistry

Volumn 14, Issue 2, 2009, Pages 273-285

  Güell, Mireia ^a,b   Luis, Josep M ^a   Siegbahn, Per E M ^b   Solà, Miquel ^a  

^a UNIVERSITY OF GIRONA   (Spain)

^b STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

B3LYP functional; Copper enzymes; Density functional theory; Hydroxylation of phenols; Mononuclear copper complexes

Indexed keywords

CUPRIC ION; HYDROGEN PEROXIDE; METAL COMPLEX; OXYGEN; PHENOL DERIVATIVE;

AEROBIC METABOLISM; ARTICLE; CALCULATION; CATALYSIS; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; HYDROXYLATION; METAL BINDING; PRIORITY JOURNAL; RAMAN SPECTROMETRY; REACTION ANALYSIS; THEORETICAL STUDY;

EID: 58849142434     PISSN: 09498257     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00775-008-0447-7     Document Type: Article

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