Broken symmetry approach and density functional theory investigation on hetero-spin system consisting of copper(II) and aminoxyl radicals: Comparison and reliability of different basis sets approaches

Journal of Molecular Structure: THEOCHEM

Volumn 896, Issue 1-3, 2009, Pages 54-62

  Noh, Elnoor Abbakar Abdelrahman ^a,b   Zhang, Jingping ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

^b University of Dalanj   (Sudan)

Author keywords

Broken symmetry approach; DFT; Exchange coupling constant; Hetero spin system; Mixed basis sets

Indexed keywords

EID: 58849125232     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.11.002     Document Type: Article

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