Edge versus interior in the chemical bonding and magnetism of zigzag edged triangular graphene molecules

Journal of Chemical Physics

Volumn 133, Issue 4, 2010, Pages

  Philpott, Michael R ^a,b   Vukovic, Sinisa ^c   Kawazoe, Yoshiyuki ^a   Lester, William A ^b,c  

^a TOHOKU UNIVERSITY   (Japan)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ANNULENES; C-C BONDS; CARBON ATOMS; CHEMICAL BONDINGS; DENSITY FUNCTIONAL THEORY CALCULATIONS; HIGH SPINS; MOLECULAR CENTERS; SINGLE ATOMS; SPIN DENSITIES; SUB-LATTICES;

BENZENE; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; GRAPHENE; MOLECULAR ORBITALS; MOLECULES;

ATOMS;

EID: 77955694911     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3457673     Document Type: Article

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