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Proton transfer in aqueous systems

 

  1. Tahat, A., Marti, J. (2016) Multistate empirical valence bond study of temperature and confinement effects on proton transfer in water inside hydrophobic nanochannels, J. Comput. Chem. 37, 1935-1946. 
  2. Marti, J. (2016) Potentials of mean force in acidic proton transfer reactions in constrained geometries, Molecular simulation, 43, 134-140.
  3. Tahat, A.; Marti, J. (2015), Proton transfer in liquid water confined inside graphene slabs, Physical review E 92, 032402. 
  4. Tahat, A.; Marti, J. Dynamical aspects of intermolecular proton transfer in liquid water and low-density amorphous ices. Physical review E: statistical, nonlinear, and soft matter physics 89, pp. 052130-1 - 052130-10 (2014).
  5. Tahat, A.; Marti, J.; Khwaldeh, A.; Tahat, K. Pattern recognition and data mining software based on artificial neural networks applied to proton transfer in aqueous environments. Chinese Physics B 23, pp. 046101-1 - 046101-12 (2014).
  6. Semino, R.; Marti, J.; Guardia, E.; Laria, D. Excess protons in mesoscopic water-acetone nanoclusters. Journal of chemical physics 137, pp. 1 - 8 (2012).
  7. Rodriguez, J.; Laria, D.; Guardia, E.; Marti, J. Dynamics of water nanodroplets and aqueous protons in non-ionic reverse micelles. Physical chemistry chemical physics 11, pp. 1484 - 1490 (2009).
  8. Marti, J.; Guardia, E.; Rodríguez, J.; Laria, D. Protons in non-ionic aqueous reverse micelles. Journal of physical chemistry B 111, pp. 4432 - 4439 (2007).
  9. Laria, D.; Marti, J.; Guardia, E. Protons in Supercritical Water: A Multistate Empirical Valence Bond Study. Journal of the American Chemical Society 126, pp. 2125 - 2134 (2004).