Molecular and all-solid DFT studies of the magnetic and chemical bonding properties within KM[Cr(CN)6] (M = V, Ni) complexes

Chemical Physics

Volumn 352, Issue 1-3, 2008, Pages 85-91

  Kabalan, L ^a   Matar, S F ^a   Desplanches, C ^a   Letard J F ^a   Zakhour, M ^b  

^a UNIVERSITÉ DE BORDEAUX   (France)

^b LEBANESE UNIVERSITY   (Lebanon)

Author keywords

Antiferromagnets; ASW, Gaussian and VASP methods; DFT; Exchange parameters; Ferromagnets; IR Raman

Indexed keywords

EID: 50149117722     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2008.05.014     Document Type: Article

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