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SN2 versus E2 reactions in a complex microsolvated environment: theoretical analysis of the equilibrium and activation steps of a nucleophilic fluorination

Fernando M. Lisboa, Josefredo R. Pliego

2022Journal of Molecular Modeling12 citationsDOI

Topics & Concepts

ChemistrySN2 reactionSelectivityReactivity (psychology)NucleophileSolvationTransition stateButanolAlkylDensity functional theoryComputational chemistryMoleculeOrganic chemistryCombinatorial chemistryEthanolCatalysisPathologyAlternative medicineMedicineFluorine in Organic ChemistryInorganic Fluorides and Related CompoundsAdvanced Chemical Physics Studies
SN2 versus E2 reactions in a complex microsolvated environment: theoretical analysis of the equilibrium and activation steps of a nucleophilic fluorination | Litcius