A comparative study of the low-frequency dynamics of the two isomers of propanol

The low-temperature specific heat of the two isomers of propanol reveals significant differences between the temperature coefficients of both samples. The low- and intermediate-frequency regions of the generalised spectrum (densities of states) have been measured for both samples in glass and crysta...

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Bibliographic Details
Published in:Chemical physics 2003-08, Vol.292 (2), p.263-271
Main Authors: Talón, C., Cuello, G.J., González, M.A., Bermejo, F.J., Cabrillo, C., Connatser, R.
Format: Article
Language:English
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Summary:The low-temperature specific heat of the two isomers of propanol reveals significant differences between the temperature coefficients of both samples. The low- and intermediate-frequency regions of the generalised spectrum (densities of states) have been measured for both samples in glass and crystal states by means of neutron scattering. Assignment of the most prominent spectral features is facilitated by comparison with results from computer molecular dynamics simulations carried out using transferable potentials that include all the relevant molecular degrees of freedom.
ISSN:0301-0104
DOI:10.1016/S0301-0104(03)00053-3