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The solvation dynamics of Na+and K+ions in liquid methanol

✍ Scribed by Cristian Faralli; Marco Pagliai; Gianni Cardini; Vincenzo Schettino

Book ID
105886072
Publisher
Springer
Year
2007
Tongue
English
Weight
447 KB
Volume
118
Category
Article
ISSN
1432-2234

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Molecular dynamic simulations of pure dimethyl sulfoxide, DMSO (216 molecules) and its "infinitely diluted solutions" of Na + and CI-(1 ion and 215 solvent molecules) have been performed at 298.15 K in NVT ensemble by using a force field model introduced by Liu, Mtiller-Plathe and van Gunsteren (J.