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A new approach to the dynamics of hydrogen bond network in liquid water
http://hdl.handle.net/2237/7055
http://hdl.handle.net/2237/70551ca00e2a-f391-446f-9758-23d061697498
名前 / ファイル | ライセンス | アクション |
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2006-10-24 | |||||
タイトル | ||||||
タイトル | A new approach to the dynamics of hydrogen bond network in liquid water | |||||
言語 | en | |||||
著者 |
Matsumoto, Masakazu
× Matsumoto, Masakazu× Ohmine, Iwao |
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アクセス権 | ||||||
アクセス権 | open access | |||||
アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||
権利 | ||||||
言語 | en | |||||
権利情報 | Copyright (1996) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. | |||||
抄録 | ||||||
内容記述 | The relation between topology and rearrangement dynamics of the hydrogen bond network (HBN) in the supercooled liquid water is investigated by using molecular dynamics (MD) calculation and examining topological indices. We have found that there is very strong correlation among certain pairs of hydrogen bonds. HBN is shown to be represented by an "undirected" graph. Topology and rearrangement dynamics of HBN are then simply described in terms of the network defects and their motions. Based on this fact, a new lattice dynamic model is proposed. The model shows that spontaneous heterogeneous hydrogen bond rearrangement occurs even when the network structure is homogeneous. | |||||
言語 | en | |||||
内容記述タイプ | Abstract | |||||
出版者 | ||||||
言語 | en | |||||
出版者 | American Institute of Physics | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源タイプresource | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | journal article | |||||
出版タイプ | ||||||
出版タイプ | VoR | |||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.1063/1.471664 | |||||
ISSN | ||||||
収録物識別子タイプ | PISSN | |||||
収録物識別子 | 0021-9606 | |||||
書誌情報 |
en : The Journal of Chemical Physics 巻 104, 号 7, p. 2705-2712, 発行日 1996-02-15 |
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フォーマット | ||||||
application/pdf | ||||||
著者版フラグ | ||||||
値 | publisher | |||||
URI | ||||||
識別子 | http://hdl.handle.net/2237/7055 | |||||
識別子タイプ | HDL |