Geometry and bonding in the ground and lowest triplet state of D6h symmetric crenellated edged C6[3m(m-1)+1]H6(2m-1) (m = 2, ..., 6) graphene hydrocarbon molecules

Chemical Physics

Volumn 358, Issue 1-2, 2009, Pages 85-95

  Philpott, Michael R ^a   Kawazoe, Yoshiyuki ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

4 Cren C222H42; Aromatic hydrocarbon; Aromatic sextet; Benzene; Crenelated (arm chair) edge; Density functional theory (DFT); Fully benzenoid hydrocarbon; Graphene; Hexabenzocoronene; Poly aromatic hydrocarbon (PAH); Pyrene

Indexed keywords

EID: 62149090279     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2008.12.025     Document Type: Article

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