Unified mechanistic concept of electrophilic aromatic nitration: Convergence of computational results and experimental data

Journal of the American Chemical Society

Volumn 125, Issue 16, 2003, Pages 4836-4849

  Esteves, Pierre M ^a,b   Carneiro, José Walkimar de M ^c   Cardoso, Sheila P ^c   Barbosa, André G H ^b   Laali, Kenneth K ^d   Rasul, Golam ^a   Prakash, G K Surya ^a   Olah, George A ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^b FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

^c FLUMINENSE FEDERAL UNIVERSITY   (Brazil)

^d KENT STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTROSTATICS; PHENOLS; POTENTIAL ENERGY; QUANTUM THEORY; REACTION KINETICS; SUBSTRATES;

INTERMEDIATES;

NITRATION;

AROMATIC COMPOUND; NITROUS OXIDE; OXYGEN;

ARTICLE; CALCULATION; CATION TRANSPORT; CHEMICAL REACTION KINETICS; DATA ANALYSIS; ELECTRIC POTENTIAL; ENERGY METABOLISM; MATHEMATICAL COMPUTING; NITRATION; OXYGEN TRANSPORT; QUANTUM CHEMISTRY; REACTION ANALYSIS;

BENZENE; KINETICS; MODELS, MOLECULAR; NITRIC ACID; NITROBENZENES; QUANTUM THEORY; THERMODYNAMICS;

EID: 0242600584     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja021307w     Document Type: Article

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