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

Niu, J.; Rao, B.K.; Jena, P.
July 1997
Journal of Chemical Physics;7/1/1997, Vol. 107 Issue 1, p132
Academic Journal
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.


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