Molecular Dynamics Simulations of Dimethyl Sulfoxide and Dimethyl Sulfoxide−Water Mixture
✍ Scribed by Vishnyakov, Aleksey; Lyubartsev, Alexander P.; Laaksonen, Aatto
- Book ID
- 118010129
- Publisher
- American Chemical Society
- Year
- 2001
- Tongue
- English
- Weight
- 722 KB
- Volume
- 105
- Category
- Article
- ISSN
- 1089-5639
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📜 SIMILAR VOLUMES
A consistent polarizable force field for dimethyl sulfoxide (DMSO) with the TIP4P-FQ (fluctuating charge) water model was developed to explore the properties of pure DMSO liquid and the DMSO-water mixtures in this work. The DMSO-water mixtures at a range of concentrations of DMSO were selected to ex
## Abstract __We study the structure and dynamics of hydrogen‐bonded complexes of H~2~O/D~2~O and dimethyl sulfoxide (DMSO) by infrared spectroscopy, NMR spectroscopy and ab initio calculations. We find that single water molecules occur in two configurations. For one half of the water monomers both