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Conformation of Alkanes in the Gas Phase and Pure Liquids

✍ Scribed by Thomas, Laura L.; Christakis, Theodore J.; Jorgensen, William L.

Book ID
115478126
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
373 KB
Volume
110
Category
Article
ISSN
0022-3654

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## Abstract Realistic, atomistic models of liquid tridecane in broad slits (>3 nm) and in narrow slits of thickness 1,2 nm and 1,0 nm have been obtained using the Monte Carlo technique. The setup of the models is such that the molecules in the slits are in equilibrium with the bulk liquid. The surf