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DFT study of the M segregation on MAu alloys (M = Ni, Pd, Pt) in presence of adsorbed oxygen O and O2

โœ Scribed by Adnene Dhouib; Hazar Guesmi


Book ID
113555320
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
976 KB
Volume
521
Category
Article
ISSN
0009-2614

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Nature of Mโ€“Bi bonds in dihalobismuth co
โœ Krishna K. Pandey ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› Elsevier ๐ŸŒ English โš– 596 KB

Geometry, electronic structure and bonding energy analysis of the terminal neutral dihalobismuth complexes of nickel, palladium and platinum trans-[X(PMe 3 ) 2 M(BiX 2 )] (M = Ni, Pd, Pt; X = Cl, Br, I) were investigated at the BP86/TZ2P/ZORA level of theory. The calculated geometrical parameters of