論文

査読有り
2018年1月

GenIce: Hydrogen-Disordered Ice Generator

JOURNAL OF COMPUTATIONAL CHEMISTRY
  • Masakazu Matsumoto
  • ,
  • Takuma Yagasaki
  • ,
  • Hideki Tanaka

39
1
開始ページ
61
終了ページ
64
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1002/jcc.25077
出版者・発行元
WILEY

GenIce is an efficient and user-friendly tool to generate hydrogen-disordered ice structures. It makes ice and clathrate hydrate structures in various file formats. More than 100 kinds of structures are preset. Users can install their own crystal structures, guest molecules, and file formats as plugins. The algorithm certifies that the generated structures are completely randomized hydrogen-disordered networks obeying the ice rule with zero net polarization. (c) 2017 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.

Web of Science ® 被引用回数 : 31

リンク情報
DOI
https://doi.org/10.1002/jcc.25077
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000415358600006&DestApp=WOS_CPL
URL
http://orcid.org/0000-0002-6799-6813

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