QUÍMICA FÍSICA TEÓRICA Y EXPERIMENTAL
Rutherford Appleton Laboratory
Didcot, Reino UnidoPublicaciones en colaboración con investigadores/as de Rutherford Appleton Laboratory (5)
2001
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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
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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
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Evaluation of ab initio calculations using INS. A test case: Azines
Physica B: Condensed Matter, Vol. 241-243, pp. 247-254
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Symmetrised quantum-mechanical force-fields and INS spectra: S-triazine, trichloro-s-triazine and pyrazine
Chemical Physics, Vol. 216, Núm. 3, pp. 323-335
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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