Simple, unambiguous theoretical approach to oxidation state determination via first-principles calculations

Inorganic Chemistry

Volumn 50, Issue 20, 2011, Pages 10259-10267

  Sit, Patrick H L ^a   Car, Roberto ^a,b   Cohen, Morrel H ^a,c   Selloni, Annabella ^a  

^a PRINCETON UNIVERSITY   (United States)

^b Princeton University   (United States)

^c RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND; TRANSITION ELEMENT;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; OXIDATION REDUCTION REACTION; QUANTUM THEORY;

LIGANDS; MODELS, CHEMICAL; OXIDATION-REDUCTION; QUANTUM THEORY; TRANSITION ELEMENTS;

EID: 80053954563     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic2013107     Document Type: Article

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