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Molecular dynamics in solid n-nonadecane: experiments and computer simulations

par Guillaume, François;Ryckaert, Jean-Paul ;Rodriguez, V.
Référence Phase Transitions, 76, 9-10, page (823-830)
Publication Publié, 2003

Article révisé par les pairs

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Résumé :

We have undertaken a collaborative study on the molecular dynamics and the phase transition mechanisms in low-dimensional molecular crystals by combining incoherent quasielastic neutron scattering, deuterium NMR and computer simulation techniques. In this paper, we summarize the method used for deriving a dynamical model for the reorientations of n-nonadecane molecules in the rotator phase RI of the crystal. This model has been applied successfully to interpret experimental and computational data.