Simple versus composite nature of the magnetic coupling in copper and nickel-based metallic chains. Over- and underestimation of J

Comptes Rendus Chimie

Volumn 15, Issue 2-3, 2012, Pages 163-169

  Bandeira, Nuno A G ^a   Tabookht, Zahra ^a   De Graaf, Coen ^a,b   López, Xavier ^a  

^a UNIVERSITAT ROVIRA I VIRGILI   (Spain)

^b INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

Author keywords

Computer chemistry; Density functional calculations; Electronic structure; Ligand effects; Metal metal interactions; Molecular modeling; Transition metals

Indexed keywords

EID: 84855969307     PISSN: 16310748     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.crci.2011.10.002     Document Type: Article

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