Energetics, relative stabilities, and size-dependent properties of nanosized carbon clusters of different families: Fullerenes, bucky-diamond, icosahedral, and bulk-truncated structures

Journal of Chemical Physics

Volumn 130, Issue 18, 2009, Pages

  Yu, M ^a   Chaudhuri, I ^a   Leahy, C ^a   Wu, S Y ^a   Jayanthi, C S ^a  

^a UNIVERSITY OF LOUISVILLE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; CAGE STRUCTURES; CARBON ALLOTROPES; DIAMOND STRUCTURES; FULLERENE STRUCTURE; HIGHEST OCCUPIED MOLECULAR ORBITAL; ICOSAHEDRAL STRUCTURE; LINEAR COMBINATION OF ATOMIC ORBITALS; LOWEST UNOCCUPIED MOLECULAR ORBITAL GAP; NANO-SIZED CARBON CLUSTERS; OSCILLATORY BEHAVIORS; PHASE TRANSFORMATION; RELATIVE ENERGIES; RELATIVE STABILITIES; SEMI-EMPIRICAL; SEMI-EMPIRICAL MOLECULAR DYNAMICS;

DENSITY FUNCTIONAL THEORY; DIAMONDS; DYNAMICS; FULLERENES; GRAPHITE; HEATING; MOLECULAR DYNAMICS; MOLECULAR MODELING; MOLECULAR ORBITALS; SIMULATED ANNEALING;

CARBON CLUSTERS;

EID: 67249142212     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3124827     Document Type: Article

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