QM/MM simulations for methyl transfer in solution and catalysed by COMT: ensemble-averaging of kinetic isotope effects

Natalia Kanaan
, J Javier Ruiz-Pernía
, Ian H Williams

Department of Chemistry

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

25 Citations (SciVal)

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