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All centre-centre and atom-atom pair correlation functions have been calculated from a molecular dynamics simulation of the mixture CCl4/CS2 at three mole fractions and at room temperature. The agreement between the intermolecular correlation functions obtained and the corresponding data from a neutron scattering is excellent. The results are discussed in terms of the changes of the local environment of the CCl4 and CS2 molecules with changing mole fractions.
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