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

Erkoc, ŞAKİR; Katircioglu, ŞENAY; Yilmaz, T

doi:10.1016/s0166-1280(00)00820-4

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

Erkoc S., Katircioglu S., Yilmaz T.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.542, ss.101-105, 2001 (SCI-Expanded, Scopus)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 542
Basım Tarihi: 2001
Doi Numarası: 10.1016/s0166-1280(00)00820-4
Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.101-105
Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

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.