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• W1968134003 abstract "Abstract The structure of the concentrated liquid ammoniate for the compound NaI·3.3NH 3 has been investigated by neutron scattering experiments at room temperature. The presence of a pre-peak in the diffraction spectrum at 1.12 A −1 is characteristic of a rigid complex, while there is no peak at 3.66 A −1 relevant to the hydrogen bonds in liquid ammonia. The radial distribution function obtained from the experiments is compared to theoretical results calculated from molecular dynamics simulations by considering two asymptotic cases in the calculations, i.e. molecular and fully dissociated NaI, the final aim of this work being a better understanding of the local ordering of NH 3 molecules around the NaI atomic pairs." @default.
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• W1968134003 date "2003-11-01" @default.
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• W1968134003 title "Combined elastic neutron scattering experiments and molecular dynamics simulations on the concentrated liquid electrolyte NaI·3.3NH3" @default.
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• W1968134003 doi "https://doi.org/10.1016/s0167-7322(03)00171-5" @default.
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