Publicaciones en las que colabora con ENRIQUE ORTI GUILLEN (16)

2018

  1. Bending Carbon Nanoforms for Supramolecular Recognition: A Topological Study on Hemifullerene-Based Aggregates

    Journal of Physical Chemistry A, Vol. 122, Núm. 4, pp. 1124-1137

1996

  1. A study of coronene-coronene association using atom-atom pair potentials

    International Journal of Quantum Chemistry, Vol. 57, Núm. 4, pp. 567-573

1995

  1. Ab initio determination of the geometric structure and internal rotation potential of 2,2'-bithiophene

    Journal of physical chemistry, Vol. 99, Núm. 14, pp. 4955-4963

  2. Theoretical description of the fluoranthene-fluoranthene association using atom-atom pair potentials

    Synthetic Metals, Vol. 71, Núm. 1-3, pp. 2081-2082

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

  2. Theoretical approach to the molecular conformation of nonfused biheterocycles. Bifurans and furylpyrroles

    Journal of Physical Chemistry, Vol. 91, Núm. 3, pp. 545-551

1986

  1. Conformational behaviour of 2,2′-bipyrrole - An ab initio approach

    Theoretica Chimica Acta, Vol. 69, Núm. 1, pp. 41-49

  2. Molecular conformation and electronic structure of 1,1'-bipyrrole. an ab initio approach

    Chemical Physics Letters, Vol. 130, Núm. 4, pp. 285-290

1985

  1. Ab initio study of rotational isomerism and electronic structure of isomeric bipyrroles

    Journal of Molecular Structure: THEOCHEM, Vol. 124, Núm. 3-4, pp. 307-317

  2. Conformational behaviour of 1H-pyrrole,2-(2-furanyl) and structural isomers

    Journal of Molecular Structure: THEOCHEM, Vol. 120, Núm. C, pp. 29-33

  3. Molecular associations between lumiflavine and some β-carbolines

    Journal of Molecular Structure: THEOCHEM, Vol. 120, Núm. C, pp. 21-27

  4. Study of a medium‐size biological molecular association by means of a pair potential semiempirical approach: β‐carboline–lumiflavin

    Journal of Computational Chemistry, Vol. 6, Núm. 5, pp. 441-446

1984

  1. Ab initio internal rotation barriers of bifurans

    Journal of Molecular Structure: THEOCHEM, Vol. 108, Núm. 3-4, pp. 199-210

1983

  1. Theoretical studies on conformational isomerism of bifurans and bipyrroles

    Journal of Molecular Structure: THEOCHEM, Vol. 104, Núm. 1-2, pp. 197-206