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On the Structure and Dynamic Properties of Aqueous Solutions: Molecular Dynamics Simulation of Cl − and Cl 2- in Water

✍ Scribed by Guàrdia, E.; Padró, J. A.


Book ID
120940364
Publisher
Taylor and Francis Group
Year
1996
Tongue
English
Weight
590 KB
Volume
17
Category
Article
ISSN
0892-7022

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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.