Similarities and differences in the structure of 3d-metal monocarbides and monoxides

Theoretical Chemistry Accounts

Volumn 109, Issue 6, 2003, Pages 298-308

  Gutsev, Gennady L ^a,b   Andrews, Lester ^a   Bauschlicher Jr , Charles W ^b  

^a UNIVERSITY OF VIRGINIA   (United States)

^b NASA AMES RESEARCH CENTER   (United States)

Author keywords

3d metal monocarbide; 3d metal monoxide; Density functional theory; Electron affinity; Ionization energy

Indexed keywords

COBALT; COPPER; IRON; MANGANESE; NICKEL; SCANDIUM; TITANIUM; TRANSITION ELEMENT; VANADIUM; ZINC;

ANALYSIS; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; COMPARATIVE STUDY; DISSOCIATION; ELECTRIC ACTIVITY; ELECTRON; IONIC STRENGTH; IONIZATION;

EID: 0042737854     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-003-0428-4     Document Type: Article

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