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Molecular dynamics simulation of iron(III) and its hydrolysis products in aqueous solution

✍ Scribed by Rustad, James R.; Hay, Benjamin P.; Halley, J. W.


Book ID
121288925
Publisher
American Institute of Physics
Year
1995
Tongue
English
Weight
439 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