Publicacions en col·laboració amb investigadors/es de Rheinisch-Westfälische Technische Hochschule Aachen University (9)

2015

  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

2014

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

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

2013

  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

2012

  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

2000

  1. Anisotropies of the Reorientational Motion of Deuterated and Protonated Benzene by 13C Nuclear Magnetic Relaxation

    Zeitschrift fur Physikalische Chemie, Vol. 214, Núm. 36861, pp. 1687

  2. The nuclear quadrupole coupling constants of methanol in mixtures with CCl4 by molecular dynamics and ab initio calculations

    Journal of Molecular Liquids, Vol. 85, Núm. 1-2, pp. 57-76

1999

  1. N-2-(Azol-1(2)-yl)ethyliminodiacetic acids: A novel series of Gd(III) chelators as T2 relaxation agents for magnetic resonance imaging

    Bioorganic and Medicinal Chemistry, Vol. 7, Núm. 3, pp. 517-527

1995

  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