TITLE

Atomic and electronic structures of neutral and charged boron and boron-rich clusters

AUTHOR(S)
Niu, J.; Rao, B.K.; Jena, P.
PUB. DATE
July 1997
SOURCE
Journal of Chemical Physics;7/1/1997, Vol. 107 Issue 1, p132
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Uses an ab initio molecular orbital theory to examine the atomic and electronic structure of boron clusters. Calculation of equilibrium geometries, binding energies and ionization potentials of the clusters; Performance of the calculations on restricted geometries for the clusters.
ACCESSION #
4283828

 

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