1987
DOI: 10.1002/chin.198715021
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M. BERKOWITZ,
W. WAN

Abstract: Abstract 021ChemInform Abstract has been used to calculate the limiting ionic conductivity for Na+ and Cl-in TIP4P water. The velocity autocorrelation function and the memory kernel for the corresponding generalized Langevin equation are calculated for the mobile ion. The major assumptions of molecular theory on time separation and the different role played by hard and soft forces are not confirmed by the computer simulations.

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