Publicaciones en las que colabora con FRANCISCO TORRENS ZARAGOZA (15)

2001

  1. New dimension indices for the characterization of the solvent-accessible surface

    Journal of Computational Chemistry, Vol. 22, Núm. 5, pp. 477-487

1999

  1. Interacting induced dipoles polarization model for molecular polarizabilities. Reference molecules, amino acids and model peptides

    Journal of Molecular Structure: THEOCHEM, Vol. 463, Núm. 1-2, pp. 27-39

  2. Polarization by the effect of a small torsional change in the benzothiazole (A)-benzobisthiazole (B) oligomer A-B13-A

    Molecules, Vol. 4, Núm. 1, pp. 28-51

1998

  1. AMYR 2: A new version of a computer program for pair potential calculation of molecular associations

    Computer Physics Communications, Vol. 115, Núm. 1, pp. 87-89

  2. Characterizing cavities in model inclusion molecules: A comparative study

    Journal of Molecular Graphics and Modelling, Vol. 16, Núm. 2, pp. 57-71

  3. Fractals for hybrid orbitals in protein models

    Proceedings - 1998 IEEE International Conference on Information Technology Applications in Biomedicine, ITAB 1998

  4. Interacting induced dipoles polarization model for molecular polarizabilities: Application to benzothiazole (A)-benzobisthiazole (B) oligomers A-B13-A

    Journal of Molecular Structure: THEOCHEM, Vol. 426, Núm. 1-3, pp. 105-116

  5. Universal model for the calculation of all organic solvent-water partition coefficients

    Journal of Chromatography A

1996

  1. Torsional effects on the molecular polarizabilities of the benzothiazole (A)-benzobisthiazole (B) oligomer A-B13-A

    Journal of Molecular Graphics, Vol. 14, Núm. 5, pp. 245-259

1993

  1. Are most of the stationary points in a molecular association minima? Application of Fraga's potential to benzene–benzene

    Journal of Computational Chemistry, Vol. 14, Núm. 6, pp. 647-654

1992

  1. Molecular aggregation of polycyclic aromatic hydrocarbons. A theoretical modelling of coronene aggregation

    Journal of Molecular Structure: THEOCHEM, Vol. 254, Núm. C, pp. 429-441

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

1988

  1. The use of "ab initio" net charges to improve Fraga's atom-atom pair potential for molecular association

    Journal of Molecular Structure: THEOCHEM, Vol. 166, Núm. C, pp. 135-140

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