Bonding and magnetism in nanosized graphene molecules: Singlet states of zigzag edged hexangulenes C6 m2 H6m (m=2,3,⋯,10)

Journal of Chemical Physics

Volumn 131, Issue 21, 2009, Pages

  Philpott, Michael R ^a   Kawazoe, Yoshiyuki ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ATOMIC CHARGE; ATOMIC ROWS; BIPARTITE LATTICES; DIRADICALS; GEOMETRIC STRUCTURE; GRAPHENES; HIGHEST OCCUPIED MOLECULAR ORBITAL; HYDROCARBON MOLECULES; MOLECULAR PHENOMENA; MONOTONIC DECREASE; NANO-SIZED; SINGLET STATE;

ATOMS; DENSITY FUNCTIONAL THEORY; GRAPHITE; HYDROCARBONS; MOLECULAR ORBITALS; MOLECULES;

BOND LENGTH;

EID: 72049114990     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3264885     Document Type: Article

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