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Lithium bromide in acetonitrile: thermodynamics, theory, and simulation

Kunz, Werner, Barthel, Josef, Klein, L., Cartailler, T., Turq, P. and Reindl, B. (1991) Lithium bromide in acetonitrile: thermodynamics, theory, and simulation. Journal of Solution Chemistry 20 (9), pp. 875-891.

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A variety of methods was used for the study of lithium bromide solns. in acetonitrile yielding by their combination reliable information on different levels of approxn. Osmotic coeffs. based on precise vapor pressure measurements are reproduced by CM (chem. model) and HNC (hypernetted chain) calcns. and by BD (brownian dynamics) simulations. The results of neutron scattering expts. are treated ...


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Item type:Article
Institutions:Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) > Prof. Dr. Werner Kunz
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Keywords:Osmotic coefficient - lithium bromide - acetonitrile - association constant - ion pairs - hypernetted chain equation - brownian dynamics simulation - ab-initio calculations
Dewey Decimal Classification:500 Science > 540 Chemistry & allied sciences
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:24246
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