Computational studies on the cyclization of polycyclic aromatic hydrocarbons in the synthesis of curved aromatic derivatives

ChemPhysChem

Volumn 7, Issue 2, 2006, Pages 475-481

  Buñuel, Elena ^a   Marco Martínez, Juan ^a   Díaz Tendero, Sergio ^a   Martín, Fernando ^a   Alcamí, Manuel ^a   Cárdenas, Diego J ^a  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

Author keywords

Density functional calculations; Fullerenes; Fused ring systems; Radical ions; Reaction mechanisms

Indexed keywords

ACTIVATION ENERGY; AROMATIZATION; DENSITY FUNCTIONAL THEORY; FULLERENES; MINERAL OILS; POLYCYCLIC AROMATIC HYDROCARBONS; POSITIVE IONS;

AROMATIC DERIVATIVES; COMPUTATIONAL STUDIES; CYCLIZATION REACTIONS; FUSED-RING SYSTEM; LOW-ACTIVATION ENERGY; POLYCYCLIC AROMATIC HYDROCARBONS (PAHS); RADICAL IONS; REACTION MECHANISM;

CYCLIZATION;

EID: 32944460933     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200500345     Document Type: Article

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