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Molecular dynamics studies of ice Ic and the structure I clathrate hydrate of methane

✍ Scribed by Tse, John S.; Klein, Michael L.; McDonald, Ian R.


Book ID
126615729
Publisher
American Chemical Society
Year
1983
Tongue
English
Weight
717 KB
Volume
87
Category
Article
ISSN
0022-3654

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## Abstract Equilibrium molecular dynamics (MD) simulations have been performed in both the NVT and NPT ensembles to study the structural and dynamical properties of fully occupied methane clathrate hydrates at 50, 125, and 200 K. Five atomistic potential models were used for water, ranging from fu