Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 34(18), p. 24033-24042
DOI: 10.1039/c6cp02821g
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The effect of the environment on the methyl transfer reaction mechanism between trimethylsulfonium and phenolate
Journal article published in 2016 by
David Adrian Saez,
Stefan Vogt-Geisse,
Ricardo Inostroza-Rivera,
Tomáš Kubař,
Marcus Elstner,
Alejandro Toro-Labbé 
,
Esteban Vöhringer-Martinez
,
Esteban Vöhringer-Martinez
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Abstract
The methyl transfer reaction mechanism in different molecular environments were studied by electronic structure methods and QM/MM molecular dynamics simulations.