Variational transition-state theory study of the dimethyl sulfoxide (DMSO) and OH reaction.

@article{GonzlezGarca2006VariationalTT,
  title={Variational transition-state theory study of the dimethyl sulfoxide (DMSO) and OH reaction.},
  author={N{\'u}ria Gonz{\'a}lez-Garc{\'i}a and {\`A}ngels Gonz{\'a}lez-Lafont and Jos{\'e} M. Lluch},
  journal={The journal of physical chemistry. A},
  year={2006},
  volume={110 2},
  pages={798-808}
}
The mechanism for the atmospheric oxidation of DMSO has been studied. For the first time, all the possible channels in the DMSO + OH reaction are studied together theoretically, and their corresponding rate constants have been evaluated under the variational transition-state formalism. Three different channels have been characterized: an addition… CONTINUE READING