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Ab Initio Molecular Dynamics Studies of Ionic Dissolution and Precipitation of Sodium Chloride and Silver Chloride in Water Clusters, NaCl(H2O)n and AgCl(H2O)n, n = 6, 10, and 14

โœ Scribed by Chi-Kit Siu; Brigitte S. Fox-Beyer; Martin K. Beyer; Vladimir E. Bondybey


Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
296 KB
Volume
12
Category
Article
ISSN
0947-6539

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An ab initio study of water clusters in
โœ D. M. Upadhyay; M. K. Shukla; P. C. Mishra ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 263 KB ๐Ÿ‘ 2 views

Geometries of several clusters of water molecules including single minimum energy structures of n-mers (n = 1-5), several hexamers and two structures of each of heptamer to decamer derived from hexamer cage and hexamer prism were optimized. One structural form of each of 11-mer and 12-mer were also