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Structure, Bonding, and Stability of Small Boron−Lithium Clusters

✍ Scribed by Nguyen, Kiet A.; Lammertsma, Koop


Book ID
121476590
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
97 KB
Volume
102
Category
Article
ISSN
1089-5639

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The structure and stability of small boron clusters B,, (n = 2-14) have been investigated employing density functional theory. The search for minima was performed using gradient methods at the local spin density level. Most of the final structures prefer planar or quasi-planar forms and can be consi