Theoretical study concerning the reactivity of imine derivatives of polycyclic aromatic hydrocarbons

Journal of Computational Chemistry

Volumn 24, Issue 5, 2003, Pages 601-608

  Borosky, Gabriela L ^a  

^a UNIVERSIDAD NACIONAL DE CÓRDOBA   (Argentina)

Author keywords

Carcinogens; Imines; Polycyclic aromatic hydrocarbons; Quantum chemical calculations; Reactivity

Indexed keywords

BENZENE; DERIVATIVES; HYDROGEN BONDS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SUBSTITUTION REACTIONS;

REACTIVITY;

POLYCYCLIC AROMATIC HYDROCARBONS;

CARCINOGEN; EPOXIDE; IMINE; NITROGEN; POLYCYCLIC AROMATIC HYDROCARBON;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; CYCLIZATION; HYDROGEN BOND; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; THEORETICAL MODEL; X RAY DIFFRACTION;

CARCINOGENS; CYCLIZATION; EPOXY COMPOUNDS; HYDROGEN BONDING; IMINES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, THEORETICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; NITROGEN; POLYCYCLIC HYDROCARBONS, AROMATIC; X-RAY DIFFRACTION;

EID: 0037447289     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10197     Document Type: Article

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