Publikationen in Zusammenarbeit mit Forschern von 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