A systematic study of neutral and charged 3d-metal trioxides and tetraoxides

Journal of Chemical Physics

Volumn 134, Issue 14, 2011, Pages

  Pradhan, Kalpataru ^a   Gutsev, Gennady L ^b   Weatherford, Charles A ^b   Jena, Purusottam ^a  

^a VIRGINIA COMMONWEALTH UNIVERSITY   (United States)

^b FLORIDA A AND M UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC ELECTRON AFFINITY; GENERALIZED GRADIENT APPROXIMATIONS; GEOMETRICAL CONFIGURATIONS; HALOGEN ATOMS; LATE TRANSITION METALS; METAL ATOMS; OXYGEN ATOM; PEROXO GROUP; STRUCTURE AND PROPERTIES; SYSTEMATIC STUDY; TIO; TOTAL ENERGY; ZNO;

ATOMS; COBALT COMPOUNDS; DENSITY FUNCTIONAL THEORY; IRON OXIDES; LEAD OXIDE; MANGANESE OXIDE; OXYGEN; TRANSITION METALS; ZINC OXIDE;

ELECTRON AFFINITY;

EID: 79954569517     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3570578     Document Type: Article

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