Publications by the researcher in collaboration with ENRIQUE ORTI GUILLEN (3)

1991

  1. Improved AMYR program: an algorithm for the theoretical simulation of molecular associations, including geometrical and topological characterization of the dimers

    Journal of Molecular Graphics, Vol. 9, Núm. 4, pp. 254-256

  2. Pair potential calculation of molecular associations: a vectorized version

    Computer Physics Communications, Vol. 66, Núm. 2-3, pp. 341-362

1987

  1. Incorporation of a dispersion energy term to Fraga's atom-atom pair intermolecular potential. Application to benzene, s-tetrazine, and their mixed dimers

    Journal of the Chemical Society, Perkin Transactions 2, pp. 943-950