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Pictorial intuition of the correlation between structure and properties in liquid solutions: acetonitrile as a strongly structured solvent of dissociated ions

Fries, P. H. ; Kunz, Werner ; Calmettes, P. ; Turq, P.


The self-consistent mean field hypernetted-chain (SCMF/HNC) approxn. of classical statistical mechanics is used to calc. the pair distributions which define the mol. order at the two-particle level. This theory is applied to pure deuterated acetonitrile and to a 0.4 M cryptates K+222/ClO4- soln. in deuterated acetonitrile. The cross-sections of the coherent neutron scattering are calcd. for ...


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