Theoretical modelling of tripodal CuN3 and CuN4 cuprous complexes interacting with O2, CO or CH3CN

Journal of Biological Inorganic Chemistry

Volumn 11, Issue 5, 2006, Pages 593-608

  De La Lande, Aurélien ^a   Gérard, Hélène ^a   Moliner, Vicent ^b   Izzet, Guillaume ^c   Reinaud, Olivia ^c   Parisel, Olivier ^a  

^a LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^b UNIVERSITAT JAUME I   (Spain)

^c UNIVERSITÉ PARIS DESCARTES   (France)

Author keywords

Bioinorganic chemistry; Biomimetic chemistry; Coordination chemistry; Copper; Density functional theory

Indexed keywords

ACETONITRILE; AMINE; BORIC ACID; CALIXARENE; CARBON MONOXIDE; COORDINATION COMPOUND; COPPER COMPLEX; CUPROUS ION; IMIDAZOLE; LIGAND; METAL; NITROGEN DERIVATIVE; OXYGEN; PEPTIDYLGLYCINE ALPHA HYDROXYLATING MONOOXYGENASE; PHOSPHORUS; SULFUR; TRIS(2 AMINOETHYL)AMINE; TRIS(2 METHYLAMINOETHYL)AMINE; TRIS(PYRAZOLYL)BORATE; UNCLASSIFIED DRUG; UNSPECIFIC MONOOXYGENASE;

ARTICLE; BINDING SITE; BIOMIMETICS; CALIBRATION; CATALYSIS; CHEMICAL BINDING; CHEMICAL BOND; CHEMICAL STRUCTURE; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; INORGANIC CHEMISTRY; MOLECULAR INTERACTION; MOLECULAR MECHANICS; PRIORITY JOURNAL; QUANTUM CHEMISTRY; QUANTUM MECHANICS; SURFACE CHARGE; THEORETICAL MODEL; VIBRATION;

ACETONITRILES; BIOMIMETICS; CARBON MONOXIDE; COMPUTATIONAL BIOLOGY; COPPER; IMIDAZOLES; LIGANDS; MIXED FUNCTION OXYGENASES; MODELS, CHEMICAL; MULTIENZYME COMPLEXES; ORGANOMETALLIC COMPOUNDS; OXYGEN;

EID: 33745398598     PISSN: 09498257     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00775-006-0107-8     Document Type: Article

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