𝔖 Bobbio Scriptorium
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Molecular Dynamics Simulation of Water Mobility in Magnesium-Smectite Hydrates

✍ Scribed by Greathouse, Jeffery A.; Refson, Keith; Sposito, Garrison


Book ID
118066690
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
130 KB
Volume
122
Category
Article
ISSN
0002-7863

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The conformational behavior of cellobiose was studied by molecular dynamics simulation in a periodic box of waters. Several different initial conformations were used and the results compared with equivalent vacuum simulations. The average positions and rms fluctuations within single torsional confor