Publications in collaboration with researchers from Rheinisch-Westfälische Technische Hochschule Aachen University (9)


  1. COSMO-3D: Incorporating three-dimensional contact information into the COSMO-SAC model

    Industrial and Engineering Chemistry Research, Vol. 54, Núm. 7, pp. 2214-2226


  1. Validation of the CO2/N2O analogy using molecular simulation

    Industrial and Engineering Chemistry Research, Vol. 53, Núm. 46, pp. 18081-18090


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

    Journal of Physical Chemistry C, Vol. 117, Núm. 40, pp. 20706-20714


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

    Industrial and Engineering Chemistry Research, Vol. 51, Núm. 30, pp. 10247-10258


  1. Molecular dynamics of hydantoins and barbiturates assessed by 1H, 13C and 15N relaxation data

    Journal of the Chemical Society, Perkin Transactions 2, pp. 2191-2194

  2. Molecular-Dynamics of Hydantoins and Barbiturates Assessed by h-1,c-13 And n-15 Relaxation Data

    Journal of the Chemical Society-Perkin Transactions 2, pp. 2191-2194