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

Citation
S. Erkoc et al., Structural and electronic properties of InmSen microclusters: density functional theory calculations, J MOL ST-TH, 542, 2001, pp. 101-105
Citations number
24
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
542
Year of publication
2001
Pages
101 - 105
Database
ISI
SICI code
0166-1280(20010615)542:<101:SAEPOI>2.0.ZU;2-C
Abstract
We have investigated the structural and electronic properties of isolated I nmSen microclusters for m + n less than or equal to 4 by performing density functional theory calculations. We have obtained the optimum geometries, p ossible dissociation channels and the electronic structure of the clusters considered. (C) 2001 Elsevier Science B.V. All rights reserved.