• Title of article

    The isotope substitution effect on the hydrated proton

  • Author/Authors

    Schmitt، نويسنده , , Udo W and Voth، نويسنده , , Gregory A، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2000
  • Pages
    6
  • From page
    36
  • To page
    41
  • Abstract
    The influence of deuteration on the hydrated excess proton in liquid water is examined through quantum-dynamical computer simulation. Equilibrium and dynamical properties are calculated and compared to the H+/H2O scenario. The effect of isotopic substitution on the vibrational density of states is also studied.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2000
  • Journal title
    Chemical Physics Letters
  • Record number

    1773383