Adiabatic connection method for X- + RX nucleophilic substitution reactions (X = F, Cl)

Journal of Physical Organic Chemistry

Volumn 15, Issue 10, 2002, Pages 712-720

  Kormos, Bethany L ^a   Cramer, Christopher J ^a  

^a University of Minnesota   (United States)

Author keywords

Activation energy; Barrier height; Chloride; Density functional theory; Electron correlation; Hartree Fock exchange; Methyl chloride; Parameterization; SN2 reaction; SN2 reaction

Indexed keywords

ACTIVATION ENERGY; ENTHALPY; NEGATIVE IONS; PROBABILITY DENSITY FUNCTION;

NUCLEOPHILIC SUBSTITUTION REACTIONS;

SUBSTITUTION REACTIONS;

EID: 0036791051     PISSN: 08943230     EISSN: None     Source Type: Journal    
DOI: 10.1002/poc.548     Document Type: Article

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