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Molecular dynamics simulations of dodecylamine adsorption on iron surfaces in aqueous solution

✍ Scribed by Yongming Tang; Lala Yao; Chunmei Kong; Wenzhong Yang; Yizhong Chen


Book ID
116385691
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
845 KB
Volume
53
Category
Article
ISSN
0010-938X

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Molecular dynamics simulations of glycos
✍ Norman W.H. Cheetham; King Lam πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 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