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The hydration of ions in aqueous solution: reverse Monte Carlo analysis of neutron diffraction data

โœ Scribed by Howe, M A

Book ID
125517640
Publisher
Institute of Physics
Year
1990
Tongue
English
Weight
504 KB
Volume
2
Category
Article
ISSN
0953-8984

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On the hydration structure of LiCl aqueo
On the hydration structure of LiCl aqueous solutions: A Reverse Monte Carlo based combination of diffraction data and Molecular Dynamics simulations
โœ I. Harsรกnyi; Ph. A. Bopp; A. Vrhovลกek; L. Pusztai ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 745 KB

Reverse Monte Carlo (RMC) calculations have been carried out on aqueous LiCl solutions at several concentrations, comparing experimental X-ray and neutron diffraction data with partial radial distribution functions (prdf) from Molecular Dynamics (MD) simulations based on conventional ion-ion, ion-wa