Publicaciones en colaboración con investigadores/as de Universidad de Castilla-La Mancha (14)

2014

  1. Quartic canonical force field in curvilinear internal coordinates for XY3 (D3h) molecules. the case of the BH3 molecule

    Journal of Molecular Modeling, Vol. 20, Núm. 6

2004

  1. The concept of canonical molecular force field

    Journal of Molecular Structure, Vol. 705, Núm. 1-3, pp. 141-145

2003

  1. A new insight into the vibrational analysis of pyridine

    Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 59, Núm. 12, pp. 2815-2839

2001

  1. Transferability and physicochemical interpretation of canonical force fields in redundant internal coordinates: Pyridazine and 3,6-dichloropyridazine

    Journal of Physical Chemistry A, Vol. 105, Núm. 41, pp. 9354-9365

1999

  1. Inelastic Neutron Scattering Spectrum and Quantum Mechanical Calculations on the Internal Vibrations of Pyrimidine

    Journal of Physical Chemistry A, Vol. 103, Núm. 29, pp. 5833-5840

  2. Unambiguous formalism of molecular vibrations: Use of redundant coordinates and canonical matrices

    Journal of Chemical Physics, Vol. 110, Núm. 7, pp. 3302-3308

1996

  1. Vibrational redundant coordinates of buckminsterfullerene

    Chemical Physics Letters, Vol. 253, Núm. 1-2, pp. 32-36

1995

  1. A topological geometric method for the obtention of symmetry-adapted functions for point groups III. The cubic group

    Computers and Mathematics with Applications, Vol. 29, Núm. 10, pp. 35-39

  2. A topological geometric method for the obtention of symmetry-adapted functions for point groups IV. The dihedral groups

    Computers and Mathematics with Applications, Vol. 29, Núm. 10, pp. 41-44

1993

  1. A topological geometric method for the obtention of symmetry-adapted functions for point groups I. General theory

    Computers and Mathematics with Applications, Vol. 26, Núm. 2, pp. 79-85

  2. A topological geometric method for the obtention of symmetry-adapted functions for point groups II. The icosahedral group

    Computers and Mathematics with Applications, Vol. 26, Núm. 7, pp. 67-77

1992

  1. Calculation of internal valence force constants for XY4 (Td) tetrahedral molecules

    Journal of Molecular Structure, Vol. 271, Núm. 3, pp. 237-249

  2. Calculation of internal valence force constants for XY5 trigonal bipyramidal molecules

    Journal of Molecular Structure, Vol. 265, Núm. 3-4, pp. 397-415

1989

  1. Icosahedral matrix representations as a function of eulerian angles

    Journal of Chemical Education, Vol. 66, Núm. 9, pp. 706-709