Editing Ice XIV
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'''Ice XIV''' was discovered experimentally in 2006 by Salzmann et al. | '''Ice XIV''' was discovered experimentally in 2006 by Salzmann et al. (Ref. 1). | ||
==External resources== | |||
A 'snapshot' of ice XIV at a [[temperature]] of 80 K and a [[pressure]] of 1 bar (100 kPa) is available for the [[TIP4P/2005]] model of [[water]]. | |||
The [http://ftp.aip.org/epaps/journ_chem_phys/E-JCPSA6-129-802834/iceXIV.txt file] is composed of the atomic coordinates of 540 molecules, O(x,y,z), H(x,y,z) H(x,y,z) M(x,y,z) which | |||
correspond to the average positions (in [[Boundary conditions | simulation box]] units). The last three lines represent the simulation cell vectors (in ångströms). | |||
==References== | ==References== | ||
*[http://dx.doi.org/10.1126/science.1123896 Christoph G. Salzmann, Paolo G. Radaelli, Andreas Hallbrucker, Erwin Mayer, and John L. Finney, "The Preparation and Structures of Hydrogen Ordered Phases of Ice", Science, '''311''' pp. 1758-1761 (2006)] | |||
''' | |||
*[http://dx.doi.org/10.1063/1.2354150 Maria Martin-Conde, Luis G. MacDowell, and Carlos Vega, "Computer simulation of two new solid phases of water: Ice XIII and ice XIV", Journal of Chemical Physics, '''125''' 116101 (2006)] | *[http://dx.doi.org/10.1063/1.2354150 Maria Martin-Conde, Luis G. MacDowell, and Carlos Vega, "Computer simulation of two new solid phases of water: Ice XIII and ice XIV", Journal of Chemical Physics, '''125''' 116101 (2006)] | ||
*[http://dx.doi.org/10.1063/1.2971188 E. G. Noya, M. M. Conde, and C. Vega "Computing the free energy of molecular solids by the Einstein molecule approach: Ices XIII and XIV, hard-dumbbells and a patchy model of proteins", Journal of Chemical Physics '''129''' 104704 (2008)] | *[http://dx.doi.org/10.1063/1.2971188 E. G. Noya, M. M. Conde, and C. Vega "Computing the free energy of molecular solids by the Einstein molecule approach: Ices XIII and XIV, hard-dumbbells and a patchy model of proteins", Journal of Chemical Physics '''129''' 104704 (2008)] | ||
[[Category: water]] | [[Category: water]] |