Chemical Physics Letters, Vol.329, No.1-2, 36-41, 2000
The isotope substitution effect on the hydrated proton
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.