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Molecular Dynamics Simulations of Clathrate Hydrate: Intramolecular Vibrations of Methane

✍ Scribed by HIDENOSUKE ITOH; KATSUYUKI KAWAMURA


Book ID
111396613
Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
621 KB
Volume
912
Category
Article
ISSN
0890-6564

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✍ Niall J. English; J. M. D. Macelroy πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 191 KB

## 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