Is [Cu 3(L 2)Cl 2] 2+ a molecule with geometrically spin frustration? DFT study on magnetic competing interaction in hetero-bridged tricopper(II) complex

Journal of Molecular Structure: THEOCHEM

Volumn 713, Issue 1-3, 2005, Pages 145-151

  Wei, Hai Yan ^a   Hu, Zong Chao ^a,b   Chen, Zhi Da ^a  

^a PEKING UNIVERSITY   (China)

^b GUIZHOU UNIVERSITY   (China)

Author keywords

Broken symmetry approach; Density functional theory; Magnetic exchange; Spin frustration; Triangular copper(II)

Indexed keywords

CHLORINE DERIVATIVE; COPPER COMPLEX; COPPER ION;

ACCELERATION; ARTICLE; CHEMICAL INTERACTION; DENSITY FUNCTIONAL THEORY; GEOMETRY; MAGNETISM; VALIDATION PROCESS;

EID: 10644269479     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.10.035     Document Type: Article

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