Density functional calculations of the structures and binding energies of Ni2Cn clusters (n=7-11)

Journal of Chemical Physics

Volumn 118, Issue 22, 2003, Pages 10349-10350

  Longo, R C ^a   Gallego, L J ^a  

^a UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; COMPUTER SIMULATION; GROUND STATE; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; NUMERICAL METHODS; ORGANOMETALLICS; PROBABILITY DENSITY FUNCTION;

METAL CARBIDE CLUSTERS; POTENTIAL ENERGY SURFACES;

NICKEL COMPOUNDS;

EID: 0038269282     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1572453     Document Type: Letter

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11. Although some of the starting geometrics were greatly distorted by optimization, none were so greatly distorted as for the descriptive name given to the starting geometry not to be applicable to the optimized structure.