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• W2064155406 abstract "The structural, dynamical, and electronic properties of methane hydrate under pressure and at room temperature are investigated using the ab initio constant pressure molecular dynamics method. Cage structures in cubic structure I are destroyed at 4.5 GPa. After the breakdown of cage structures water molecules form a channel surrounding a chain of methane molecules prominent in MH-III. In our MH-III there exists a single peak of C-D stretching mode showing blueshift in agreement with experiment. Our study supports the existence of “filled ice” proposed by Loveday et al. [Phys. Rev. Lett. 87, 215501 (2001)]." @default.
• W2064155406 created "2016-06-24" @default.
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• W2064155406 date "2003-09-17" @default.
• W2064155406 modified "2023-10-17" @default.
• W2064155406 title "Structural transformation of methane hydrate from cage clathrate to filled ice" @default.
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• W2064155406 doi "https://doi.org/10.1063/1.1606437" @default.
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