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An Effective Force Field for Molecular Dynamics Simulations of Dimethyl Sulfoxide and Dimethyl Sulfoxide−Water Mixtures

✍ Scribed by Geerke, Daan P.; Oostenbrink, Chris; van der Vegt, Nico F. A.; van Gunsteren, Wilfred F.

Book ID
120237509
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
151 KB
Volume
108
Category
Article
ISSN
0022-3654

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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