A new view on the spectrochemical and nephelauxetic series on the basis of spin-polarized conceptual DFT

ChemPhysChem

Volumn 10, Issue 5, 2009, Pages 847-854

  Moens, Jan ^a   Jaque, Pablo ^a   De Proft, Frank ^a   Geerlings, Paul ^a  

^a VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

Author keywords

Density functional calculations; Ligand effects; Nephelauxetic series; Spectrochemical series; Transition metals

Indexed keywords

DENSITY FUNCTIONAL THEORY; METAL IONS; TRANSITION METALS;

FUKUI FUNCTIONS; LIGAND EFFECT; NEPHELAUXETIC EFFECT; NEPHELAUXETIC SERIES; SEMI-EMPIRICAL; SPECTROCHEMICAL SERIES; SPIN-POLARIZED; UNIFIED APPROACH;

SPIN POLARIZATION;

EID: 63849297029     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200800864     Document Type: Article

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