Structural and electronic properties of InmSen microclusters: density functional theory calculations
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.542, pp.101-105, 2001 (SCI-Expanded, Scopus)
- Publication Type: Article / Article
- Volume: 542
- Publication Date: 2001
- Doi Number: 10.1016/s0166-1280(00)00820-4
- Journal Name: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Page Numbers: pp.101-105
- Middle East Technical University Affiliated: Yes
Abstract
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.