Publicaciones en colaboración con investigadores/as de Rutherford Appleton Laboratory (7)

2009

  1. Conformational and vibrational analysis of methyl methanesulfonate, CH 3so2OCH3

    Journal of Physical Chemistry A, Vol. 113, Núm. 29, pp. 8401-8408

  2. New insight into the structure, internal rotation barrier and vibrational analysis of 2-fluorostyrene

    Chemical Physics, Vol. 361, Núm. 1-2, pp. 94-105

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

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

1997

  1. Evaluation of ab initio calculations using INS. A test case: Azines

    Physica B: Condensed Matter, Vol. 241-243, pp. 247-254

  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. Test of vibrational eigenvectors from different ab initio levels for the pyrimidine molecule using inelastic neutron scattering

    Physica B: Condensed Matter, Vol. 241-243, pp. 475-477