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.
Structure and dynamics of Na+ and Cl− solvation shells in liquid DMSO: molecular dynamics simulations
✍ Scribed by O.N. Kalugin; M.N. Volobuev; A.V. Ishchenko; A.K. Adya
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 912 KB
- Volume
- 91
- Category
- Article
- ISSN
- 0167-7322
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