Ensemble-averaged QM/MM kinetic isotope effects for the S_N2 reaction of cyanide anions with chloroethane in DMSO solution

J.J. Ruiz Pernía, Ian H Williams

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

14 Citations (SciVal)

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A COMPUTATIONAL FRAMEWORK FOR INTERPRETATION OF KINETIC ISOT OPE EFFECTS FOR ORGANIC REACTIONS IN SOLUTION
Williams, I. (PI)
Engineering and Physical Sciences Research Council
1/12/06 → 30/11/09
Project: Research council