| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5413611 | Journal of Molecular Liquids | 2007 | 7 Pages |
Abstract
Molecular dynamics simulations with new reliable quantum-chemically derived potential have been performed for Na+, K+, Clâ and Brâ ions in liquid N,N-dimethylformamide (DMFA) at 233, 298, and 318Â K. Structural properties of ion solvation shells were investigated through the radial distribution functions and coordination numbers of the ions.
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Authors
L.P. Safonova, Yu.P. Puhovski,