Solvent effects and mechanism for a nucleophilic aromatic substitution from QM/MM simulations

Organic Letters

Volumn 6, Issue 17, 2004, Pages 2881-2884

  Acevedo, Orlando ^a   Jorgensen, William L ^a  

^a YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUND; AZIDE; BENZENE DERIVATIVE;

ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; MATHEMATICAL COMPUTING; MOLECULAR MECHANICS; QUANTUM THEORY; SIMULATION; SOLVATION; SOLVENT EFFECT; SUBSTITUTION REACTION;

AZIDES; CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; MOLECULAR STRUCTURE; NITROBENZENES; SOLVENTS; THERMODYNAMICS;

EID: 4444256797     PISSN: 15237060     EISSN: None     Source Type: Journal    
DOI: 10.1021/ol049121k     Document Type: Article

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