A recipe for the calculation of elastic coherent neutron scattering spectra from molecular dynamics simulation data is proposed and applied to the case of the plastic phase of NaCN, A good agreement with the experimental results is obtained.
Calculation of the elastic coherent neutron scattering spectra from molecular dynamics data: the NaCN plastic crystal / Chelli, Riccardo; Cardini, Gianni; Califano, Salvatore. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 274:(1997), pp. 335-340. [10.1016/S0009-2614(97)00680-5]
Calculation of the elastic coherent neutron scattering spectra from molecular dynamics data: the NaCN plastic crystal
CHELLI, RICCARDO;CARDINI, GIANNI;CALIFANO, SALVATORE
1997
Abstract
A recipe for the calculation of elastic coherent neutron scattering spectra from molecular dynamics simulation data is proposed and applied to the case of the plastic phase of NaCN, A good agreement with the experimental results is obtained.
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