Structural and electronic properties of InmSen microclusters: density functional theory calculations

Erkoc S., Katircioglu S., Yilmaz T.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.542, pp.101-105, 2001 (SCI-Expanded) identifier identifier


We have investigated the structural and electronic properties of isolated InmSen microclusters for m + n less than or equal to 4 by performing density functional theory calculations. We have obtained the optimum geometries, possible dissociation channels and the electronic structure of the clusters considered. (C) 2001 Elsevier Science B.V. All rights reserved.