Author/Authors :
Schmitt، نويسنده , , Udo W and Voth، نويسنده , , Gregory A، نويسنده ,
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.
