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Molecular Dynamics Simulations of Aqueous Solutions of Ethanolamines

✍ Scribed by López-Rendón, Roberto; Mora, Marco A.; Alejandre, José; Tuckerman, Mark E.


Book ID
120194244
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
158 KB
Volume
110
Category
Article
ISSN
0022-3654

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📜 SIMILAR VOLUMES


Molecular dynamics simulations of glycos
✍ Norman W.H. Cheetham; King Lam 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 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