Water dimer and sulfuric acid monohydrate. Hydrogen bonds are denoted by dashed lines.
(a) Radial distribution functions for . (b) Radial distribution functions for and O for the 1:3 system.
Radial distribution functions for .
Radial distribution functions for (of ).
Radial distribution functions and their integrations for .
Plots of square of the displacement of the proton vs time. The dotted lines denote the least squares fitting to the linear part of the curve.
Average change of Cartesian coordinate under a uniform electric field of , where the difference from is shown: (a) of all hydrogen atoms and (b) of .
Radial distribution functions and their integrations for (of ) with and without the inclusion of an electric field.
Details of simulation conditions.
Equilibrium structure of and . Bond lengths in Å and bond angles in degrees.
Fraction of each species generated upon dissociation of in water.
Mobility and diffusion coefficient of protons.
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