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Bimetallic clusters of cobalt and aluminum: ionization potentials versus reactivity, and the importance of geometric structure

✍ Scribed by Warren J.C. Menezes; Mark B. Knickelbein

Book ID
107735286
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
461 KB
Volume
183
Category
Article
ISSN
0009-2614

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Density functional studies of the abundant cluster Na6Pb and of its analogue Na6Mg are reported. The structure of Na6Pb has been optimized for a series of symmetry constraints (O h, D3d, D3h, C5v, C3v and C2v). The resulting binding energies fall within a narrow range of less than 0.1 eV whereas a s