Publikationen, an denen er mitarbeitet MANUEL FERNÁNDEZ GÓMEZ (32)

2006

  1. Theoretical, ab initio and DFT, study of the structure and vibrational analysis of Raman, IR and INS spectra of (CH3)3SiNCO

    Chemical Physics, Vol. 330, Núm. 1-2, pp. 26-42

  2. Weak hydrogen-, halogen- and stacking π⋯π bonding in crystalline 5-chloro-1-indanone. An analysis by using X-ray diffraction, vibrational spectroscopy and theoretical methods

    Chemical Physics, Vol. 320, Núm. 2-3, pp. 164-180

2004

  1. Weak C-H⋯O and C-H⋯π hydrogen bonds in crystal 1-indanone. An structural and spectroscopic analysis

    Journal of Molecular Structure, Vol. 707, Núm. 1-3, pp. 33-46

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

  2. Franck-Condon factors and r-centroids for a number of band systems of the astrophysical molecule AlF

    Astroparticle Physics, Vol. 20, Núm. 1, pp. 67-71

2002

  1. Transition probabilities and dissociation energy of astrophysical molecule CoH

    Astrophysics and Space Science, Vol. 280, Núm. 4, pp. 319-324

2001

  1. Measurement and ab initio modeling of the inelastic neutron scattering of solid melamine: Evidence of the anisotropy in the external modes spectrum

    Chemical Physics, Vol. 266, Núm. 1, pp. 1-17

2000

  1. Astrophysical molecules aid and CaH: Transition probabilities and dissociation energy

    Astrophysics and Space Science, Vol. 272, Núm. 4, pp. 345-352

  2. Vibrational analysis of the inelastic neutron scattering spectrum of pyridine

    Chemical Physics, Vol. 261, Núm. 1-2, pp. 239-247

1999

  1. A set of force constants common for SIH3-X molecules

    Journal of Molecular Structure

  2. 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

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

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

1998

  1. Franck-Condon factors and r-centroids for certain band systems of SiD, SiF and SiN molecules of astrophysical interest

    Astronomy and Astrophysics Supplement Series, Vol. 129, Núm. 1, pp. 157-159

1997

  1. Calculation of internal valence force constants for XY3Z (C(3v)) molecules

    Journal of Molecular Structure, Vol. 407, Núm. 2-3, pp. 101-116

  2. Symmetrised quantum-mechanical force-fields and INS spectra: S-triazine, trichloro-s-triazine and pyrazine

    Chemical Physics, Vol. 216, Núm. 3, pp. 323-335

  3. The force field of the triazinic ring C3N3

    Vibrational Spectroscopy, Vol. 13, Núm. 2, pp. 187-194

1996

  1. Vibrational redundant coordinates of buckminsterfullerene

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

  2. Vibrational spectra of s-triazine and its halogenated derivatives. Harmonic scaled ab initio force fields for s-triazine, trifluoro-s-triazine and trichloro-s-triazine

    Journal of Molecular Structure, Vol. 376, Núm. 1-3, pp. 353-362

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