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Formation, Structures, and Reactivities of Niobium Oxide Cluster Ions

✍ Scribed by Deng, H. T.; Kerns, K. P.; Castleman, A. W.


Book ID
120171538
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
317 KB
Volume
100
Category
Article
ISSN
0022-3654

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Structures and energetics of Nb clusters are studied using a many-body potential based on the tight binding formulation and molecular dynamics simulations. Local and global minima are searched using steepest descent and conjugate gradient methods. Sequences of minima are thus ordered by energy revea