Theoretical prediction of atomic and electronic structure of neutral Si6 Om (m=1-11) clusters

Journal of Chemical Physics

Volumn 130, Issue 13, 2009, Pages

  Caputo, María C ^a   Oña, Ofelia ^a   Ferraro, Marta B ^a  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER STRUCTURES; DENSITY FUNCTIONAL; DISSOCIATION ENERGIES; ENERGY FUNCTIONS; FRAGMENTATION CHANNELS; HIGHEST OCCUPIED MOLECULAR ORBITALS; LOWEST UN-OCCUPIED MOLECULAR ORBITALS; OXIDE CLUSTERS; POLARIZABILITIES; SEMI-EMPIRICAL; STABLE STRUCTURES; STRUCTURAL MOTIFS; THEORETICAL PREDICTIONS;

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; MOLECULAR MODELING; MOLECULAR ORBITALS;

CRYSTAL ATOMIC STRUCTURE;

EID: 64549086324     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3080549     Document Type: Article

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