Theoretical description of the magnetic properties of μ3- hydroxo bridged trinuclear copper(II) complexes

Journal of Molecular Modeling

Volumn 19, Issue 7, 2013, Pages 2835-2844

  Cañon Mancisidor, Walter ^a,b   Spodine, Evgenia ^a,b   Paredes Garcia, Veronica ^b,c   Venegas Yazigi, Diego ^b,d  

^a UNIVERSITY OF CHILE   (Chile)

^b CENTER FOR THE DEVELOPMENT OF NANOSCIENCE AND NANOTECHNOLOGY CEDENNA   (Chile)

^c UNIVERSIDAD ANDRÉS BELLO   (Chile)

^d UNIVERSIDAD DE SANTIAGO DE CHILE   (Chile)

Author keywords

CuII; DFT; Hydroxo centered; Kahn Briat; Trinuclear complex

Indexed keywords

1,2,4 TRIAZOLE DERIVATIVE; COPPER COMPLEX; LIGAND; PHENOXYACETIC ACID DERIVATIVE;

CONFERENCE PAPER; CRYSTAL STRUCTURE; DENSITY; DENSITY FUNCTIONAL THEORY; DRUG STRUCTURE; MAGNETISM; PRIORITY JOURNAL; X RAY ANALYSIS;

COPPER; CRYSTALLOGRAPHY, X-RAY; ELECTRON SPIN RESONANCE SPECTROSCOPY; MAGNETICS; MOLECULAR STRUCTURE; PYRAZOLES; TRIAZOLES;

RHODOCOCCUS RHODOCHROUS;

EID: 84879781806     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1696-5     Document Type: Conference Paper

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