The nature of the hydrated excess proton in water

@article{Marx1999TheNO,
  title={The nature of the hydrated excess proton in water},
  author={D. Marx and M. Tuckerman and J{\"u}rg Hutter and M. Parrinello},
  journal={Nature},
  year={1999},
  volume={397},
  pages={601-604}
}
  • D. Marx, M. Tuckerman, +1 author M. Parrinello
  • Published 1999
  • Chemistry
  • Nature
  • Explanations for the anomalously high mobility of protons in liquid water began with Grotthuss's idea, of ‘structural diffusion’ nearly two centuries ago. Subsequent explanations have refined this concept by invoking thermal hopping, , proton tunnelling, or solvation effects. More recently, two main structural models have emerged for the hydrated proton. Eigen, proposed the formation of an H9O4+ complex in which an H3O+ core is strongly hydrogen-bonded to three H2O molecules. Zundel… CONTINUE READING
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