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https://hdl.handle.net/1959.11/15462| Title: | Ion Solubility in Ice: Calculation of Potentially Favorable Positions of CI- and Na+ Ions in the SPC/E Model of Ice 1 h* | Contributor(s): | Smith, Erica (author) ; Haymet, Anthony D J (author) |
Publication Date: | 2004 | DOI: | 10.1080/08927020410001709325 | Handle Link: | https://hdl.handle.net/1959.11/15462 | Abstract: | Favorable and unfavorable locations for positive and negative ions in the ice 1 h lattice are investigated by molecular dynamics methods. This is a first step in calculating the solubility of ions in ice as distinct from liquid water. | Publication Type: | Journal Article | Source of Publication: | Molecular Simulation, 30(13-15), p. 827-830 | Publisher: | Taylor & Francis | Place of Publication: | United Kingdom | ISSN: | 1029-0435 0892-7022 |
Fields of Research (FoR) 2008: | 030799 Theoretical and Computational Chemistry not elsewhere classified 030704 Statistical Mechanics in Chemistry |
Socio-Economic Objective (SEO) 2008: | 970102 Expanding Knowledge in the Physical Sciences 970103 Expanding Knowledge in the Chemical Sciences |
Peer Reviewed: | Yes | HERDC Category Description: | C1 Refereed Article in a Scholarly Journal |
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| Appears in Collections: | Journal Article |
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