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Journal Articles

Structural transformation of methane hydrate from cage clathrate to filled ice

Ikeda, Takashi; Terakura, Kiyoyuki*

Journal of Chemical Physics, 119(13), p.6784 - 6788, 2003/10

https://doi.org/10.1063/1.1606437
 Times Cited Count：26 Percentile：63.62(Chemistry, Physical)

The structural, dynamical, and electronic properties of methane hydrate under pressure and at room temperature are investigated using the $textit{ab initio}$ constant pressure molecular dynamics method. Cage structures in cubic structure I are destroyed at 4.5GPa. 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 $textquotedblleft filled icetextquotedblright proposed by Loveday textit{et al.}$ [Phys. Rev. Lett. $textbf{87}$, 215501 (2001).]

Journal Articles

Radiolysis of methane containing small amounts of carbon monoxide-formation of organic acids

; ;

Radiation Physics and Chemistry, 17, p.211 - 216, 1981/00

no abstracts in English

Journal Articles

Conditioning of graphite surface by atomic hydrogen shower

; ; Murakami, Yoshio

Journal of Nuclear Materials, 91(1), p.223 - 226, 1980/00

https://doi.org/10.1016/0022-3115(80)90050-1
 Times Cited Count：8 Percentile：86.69(Materials Science, Multidisciplinary)

no abstracts in English

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