A novel density functional study of the ground state properties of a localized trinuclear copper(II,II,III) mixed-valence system

Chemistry - A European Journal

Volumn 8, Issue 19, 2002, Pages 4392-4401

  Daul, Claude ^a   Fernandez Ceballos, Sergio ^a   Ciofini, Ilaria ^a   Rauzy, Cedrick ^a   Schläpfer, Carl Wilhelm ^a  

^a UNIVERSITY OF FRIBOURG   (Switzerland)

Author keywords

Density functional calculations; Jahn Teller distortion; Magnetic properties; Mixed valent compounds

Indexed keywords

MAGNETIC PROPERTIES; OPTICAL PROPERTIES; POTENTIAL ENERGY; SURFACES; X RAY ANALYSIS;

DENSITY FUNCTIONAL THEORY;

COPPER;

COPPER COMPLEX;

ARTICLE; CHEMICAL STRUCTURE; MAGNETISM; MOLECULAR DYNAMICS; MOLECULAR MODEL; OPTICS; QUANTUM CHEMISTRY;

EID: 0037020276     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3765(20021004)8:19<4392::AID-CHEM4392>3.0.CO;2-5     Document Type: Article

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