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Structural evolution of clusters using genetic algorithm and density functional theory method

โœ Scribed by Hualei Zhang; Dongxu Tian

Book ID
116374936
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
644 KB
Volume
42
Category
Article
ISSN
0927-0256

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Structures of small water clusters using
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โœ K. Laasonen; M. Parrinello; R. Car; Changyol Lee; David Vanderbilt ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 483 KB

The structures of small water clusters (up to 8 molecules) have been studied using gradient-corrected density functional theory and ab initio molecular dynamics. For smaller clusters (3,4 and 6 molecules) ring structures were found to be the most stable, while for octamers three-dimensional structur