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Simulation and QENS Studies of Molecular Dynamics in Aqueous Solutions of 1,2-Dimethoxyethane

โœ Scribed by Bedrov, Dmitry; Borodin, Oleg; Smith, Grant D.; Trouw, Frans; Mayne, Charles


Book ID
127327864
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
68 KB
Volume
104
Category
Article
ISSN
0022-3654

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Molecular dynamics simulations of glycos
โœ Norman W.H. Cheetham; King Lam ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 602 KB

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