Geometric structure and electronic properties of neutral and anionic Fe2C3 and Fe2C4 clusters, as obtained by density-functional calculations

Journal of Chemical Physics

Volumn 120, Issue 4, 2004, Pages 2069-2070

  Noya, E G ^a   Longo, R C ^a   Gallego, L J ^a  

^a UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BINDING ENERGY; CHEMICAL BONDS; COMPUTATIONAL GEOMETRY; CORRELATION METHODS; CRYSTAL ATOMIC STRUCTURE; ELECTRONIC PROPERTIES; GROUND STATE; ISOMERS; NEGATIVE IONS; PROBABILITY DENSITY FUNCTION;

ELECTRONEGATIVITY; LOW-ENERGY ISOMERS; PSEUDOPOTENTIALS;

IRON COMPOUNDS;

EID: 1242331995     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1634552     Document Type: Article

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