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Structural, electronic, and magnetic properties of (n + m = 5) clusters

โœ Scribed by Ben-Fu Xu; Chuan-Lu Yang; Mei-Shan Wang; Xiao-Guang Ma


Book ID
108286109
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
500 KB
Volume
957
Category
Article
ISSN
0166-1280

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Density functional study of NO binding o
โœ Shuang Zhao; YunLai Ren; YunLi Ren; JianJi Wang; WeiPing Yin ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› Elsevier ๐ŸŒ English โš– 463 KB

Density functional theory calculations were performed to investigate the binding of NO on small Ag n Pd m clusters (n + m 6 5). NO prefers binding to Pd site when both Ag and Pd atoms co-exist in the cluster. Generally the binding energies increase as the Pd composition increases for the given clust