Structures and energetics of Be(n)Si(n) and Be(2n)Si(n) (n = 1-4) clusters.
The structures and energies of Be(n)Si(n) and Be(2n)Si(n) (n = 1-4) clusters have been examined in ab initio theoretical electronic structure calculations. Cluster geometries have been established in B3LYP/6-31G(2df) calculations and accurate relative energies determined by the G3XMP2 method. The two atoms readily bond to each other and to other atoms of their own kind. The result is a great variety of low-energy clusters in a variety of structural types.
Binning
R C
RC
Department of Sciences and Technology, Universidad Metropolitana, P. O. Box 21150, San Juan, Puerto Rico. binningrc@yahoo.com
Bacelo
Daniel E
DE