Diffusion coefficients from molecular dynamics simulations in binary and ternary mixtures

Strategies to simultaneously enhance the hydrostability and the alcohol¿water separation behavior of Cu-BTC

Fick diffusion coefficients in ternary liquid systems from equilibrium molecular dynamics simulations

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Diffusion in ionic liquids and their mixtures

Maxwell - Stefan diffusivities in binary mixtures of ionic liquids with dimethyl sulfoxide (DMSO) and H2O

Maxwell-Stefan diffusiviteis in liquid mixtures: Using molecular dynamics for testing model predictions

Maxwell-Stefan diffusivities and velocity cross-correlations in dilute ternary systems

Multicomponent Maxwell - Stefan diffusivities at infinite dilution

Predictive darken equation for maxwell-stefan diffusivities in muliticomponent mixtures

Calculating thermodynamic properties from fluctuations at small scales

Fick diffusion coefficients of liquid mixtures directly obtained from equilibrium molecular dynamics

Maxwell-Stefan diffusivities in liquid mixtures: using molecular dynamics for testing model predictions

Multiscale simulation of diffusion

Multiscale simulation of diffusion