論文

査読有り 筆頭著者 責任著者
1996年2月

A new approach to the dynamics of hydrogen bond network in liquid water

JOURNAL OF CHEMICAL PHYSICS
  • M Matsumoto
  • ,
  • Ohmine, I

104
7
開始ページ
2705
終了ページ
2712
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1063/1.471664
出版者・発行元
AMER INST PHYSICS

The relation between topology and rearrangement dynamics of the hydrogen bond network (HEN) 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. (C) 1996 American Institute of Physics.

リンク情報
DOI
https://doi.org/10.1063/1.471664
CiNii Articles
http://ci.nii.ac.jp/naid/120000979732
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:A1996TU98500024&DestApp=WOS_CPL
URL
http://www.scopus.com/inward/record.url?eid=2-s2.0-0000151670&partnerID=MN8TOARS
ID情報
  • DOI : 10.1063/1.471664
  • ISSN : 0021-9606
  • CiNii Articles ID : 120000979732
  • ORCIDのPut Code : 25798624
  • SCOPUS ID : 0000151670
  • Web of Science ID : WOS:A1996TU98500024

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