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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. and Turq, P. (1995) Pictorial intuition of the correlation between structure and properties in liquid solutions: acetonitrile as a strongly structured solvent of dissociated ions. Journal of Molecular Structure: THEOCHEM 330, pp. 287-300.

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Abstract

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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Item type:Article
Date:1995
Institutions:Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) > Prof. Dr. Werner Kunz
Identification Number:
ValueType
10.1016/0166-1280(94)03852-CDOI
Keywords:liq structure property relation acetonitrile soln potassium cryptate perchlorate soln acetonitrile structure radial distribution acetonitrile soln structure ion solvation acetonitrile soln potassium cryptate
Dewey Decimal Classification:500 Science > 540 Chemistry & allied sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:24634
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