Nucleophilic Substitution in Reactions between Partially Hydrated Superoxide Anions and Alkyl Halides

Journal of Organic Chemistry

Volumn 80, Issue 12, 2015, Pages 6133-6142

  Ryding, Mauritz J ^a   Debnárová, Andrea ^a   Fernández, Israel ^b   Uggerud, Einar ^a  

^a UNIVERSITY OF OSLO   (Norway)

^b UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CHLORINE COMPOUNDS; MOLECULAR DYNAMICS; MOLECULES; NEGATIVE IONS; OXYGEN; QUANTUM CHEMISTRY;

BORN-OPPENHEIMER MOLECULAR DYNAMICS; COMPUTATIONAL MODEL; NUCLEOPHILIC SUBSTITUTIONS; NUCLEOPHILICITIES; QUANTUM CHEMICAL CALCULATIONS; SUPEROXIDE ANIONS; TRAJECTORY CALCULATIONS; TRANSITION STATE GEOMETRY;

REACTION KINETICS;

HALIDE; OXYGEN; SUPEROXIDE; WATER;

ARTICLE; CHEMICAL REACTION KINETICS; DENSITY FUNCTIONAL THEORY; ENERGY; MOLECULAR DYNAMICS; NUCLEOPHILICITY; QUANTUM CHEMISTRY; REACTION OPTIMIZATION; SUBSTITUTION REACTION;

EID: 84934925581     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/acs.joc.5b00651     Document Type: Article

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