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Molecular dynamics simulations of aqueous formamide solution. II. Dynamics of solvent molecules

✍ Scribed by Puhovski, Yurii P.; Rode, Bernd M.

Book ID
118004404
Publisher
American Institute of Physics
Year
1995
Tongue
English
Weight
458 KB
Volume
102
Category
Article
ISSN
0021-9606

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Molecular dynamics simulations for aq solutions of methyl-a-and -/3-D-glucopyranoside, galactopyranoside and talopyranoside have been carried out. A single molecule surrounded by 252 SPC water molecules was used under periodic boundary conditions. Preference for the gt and gg orientations for the hy