Aromaticity and electronic properties of Heterosuperbenzene (Heterohexabenzocoronene)

Journal of Molecular Modeling

Volumn 13, Issue 9, 2007, Pages 1027-1031

  Salcedo, Roberto ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

Aromaticity; DFT calculations; Heterosuperbenzene; Molecular simulations; Optoelectronic properties

Indexed keywords

BENZENE DERIVATIVE; CARBON; FULLERENE; HETEROCYCLIC COMPOUND; HETEROHEXABENZOCORONENE; HETEROSUPERBENZENE; NITROGEN; POLYCYCLIC AROMATIC HYDROCARBON; UNCLASSIFIED DRUG;

ANALYTIC METHOD; AROMATIZATION; ARTICLE; CALCULATION; CHEMICAL PHENOMENA; CHEMICAL STRUCTURE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; ELECTRONICS; ELECTROPHILICITY; IONIZATION POTENTIAL; LIGHT EMITTING DIODE; PRIORITY JOURNAL; SEMICONDUCTOR; SIMULATION; THEORETICAL STUDY;

CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; MODELS, MOLECULAR; POLYCYCLIC HYDROCARBONS, AROMATIC; QUANTUM THEORY;

EID: 34547622667     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-007-0223-6     Document Type: Article

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