A QM/MM study of a nucleophilic aromatic substitution reaction catalyzed by 4-chlorobenzoyl-CoA dehalogenase

Chemical Communications

Volumn 4, Issue 7, 2004, Pages 892-893

  Xu, Dingguo ^a   Guo, Hua ^a   Gao, Jiali ^b   Cui, Qiang ^c  

^a UNIVERSITY OF NEW MEXICO   (United States)

^b University of Minnesota   (United States)

^c UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

4 CHLOROBENZOIC ACID; 4 CHLOROBENZOYL COA DEHALOGENASE; 4 HYDROXYBENZOIC ACID; BENZOIC ACID DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; AROMATIZATION; ARTICLE; CALCULATION; CATALYSIS; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; ENERGY YIELD; MOLECULAR STABILITY; SUBSTITUTION REACTION;

EID: 1942500253     PISSN: 13597345     EISSN: 1364548X     Source Type: Journal    
DOI: 10.1039/b401159g     Document Type: Article

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