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Kolokolov, D. I., Jobic, H., Stepanov, A. G., Plazanet, M., Zbiri, M., Ollivier, J., Guillerm, V., Devic, T., Serre, C. & Ferey, G. (2010) Comparison of the dynamics of MIL-53(Cr) and MIL-47(V) frameworks using neutron scattering and DFT methods. EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS, 189 263–271.
Added by: Richard Baschera (2017-03-01 08:48:23) |
| Type de référence: Article DOI: {10.1140/epjst/e2010-01331-y} Numéro d'identification (ISBN etc.): {1951-6355} Clé BibTeX: Kolokolov{2010} Voir tous les détails bibliographiques  |
Catégories: HORSIMN Créateurs: Devic, Ferey, Guillerm, Jobic, Kolokolov, Ollivier, Plazanet, Serre, Stepanov, Zbiri Collection: {EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS} |
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{The low-frequency modes of MIL-47(V) and MIL-53(Cr) frameworks have been measured by inelastic neutron scattering. The librational modes of benzene are very close in frequency in the two structures. First-principles calculations have been performed to assign the measured spectra. The calculated values of the rotational barriers of the benzene rings are in reasonable agreement with experimental data. The relatively large barriers (413- 588 meV) explain the absence of quasi-elastic broadening on the neutron time scale.}
Added by: Richard Baschera |