Article ID Journal Published Year Pages File Type
5394997 Computational and Theoretical Chemistry 2011 6 Pages PDF
Abstract
► Dynamics simulations were performed for two SN2 reactions of OH− + NH2F and NH2Cl. ► A direct SN2 reaction mechanism does not involve any intermediate. ► An indirect SN2 mechanism involves the dynamic hydrogen bond intermediates.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Ab initio molecular dynamics investigations on the SN2 reactions of OH− with NH2F and NH2Cl
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