Computer simulations of the GreenKubo time‐correlation‐functions (tcfs) for the shear viscosity ... more Computer simulations of the GreenKubo time‐correlation‐functions (tcfs) for the shear viscosity are reported for argon (Lennard‐Jonesium) at several state points. The principal function of interest is the contribution that involves the intermolecular forces. This particular tcf is the sum of a ...
A classical force field for the room temperature molten salt 1-ethyl-3-methylimidazolium tetrachl... more A classical force field for the room temperature molten salt 1-ethyl-3-methylimidazolium tetrachloroaluminate has been developed and successfully tested against experimental data (neutron diffraction, diffusion constants) by molecular dynamics computer simulation corresponding to a temperature of ...
Computer simulations of the GreenKubo time‐correlation‐functions (tcfs) for the shear viscosity ... more Computer simulations of the GreenKubo time‐correlation‐functions (tcfs) for the shear viscosity are reported for argon (Lennard‐Jonesium) at several state points. The principal function of interest is the contribution that involves the intermolecular forces. This particular tcf is the sum of a ...
A classical force field for the room temperature molten salt 1-ethyl-3-methylimidazolium tetrachl... more A classical force field for the room temperature molten salt 1-ethyl-3-methylimidazolium tetrachloroaluminate has been developed and successfully tested against experimental data (neutron diffraction, diffusion constants) by molecular dynamics computer simulation corresponding to a temperature of ...
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