A theoretical study on the strong codimer of C-60 and Si-60, C58Si58

Turker, L

doi:10.1016/s0166-1280(01)00409-2

A theoretical study on the strong codimer of C-60 and Si-60, C58Si58

Atıf İçin Kopyala

Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.545, ss.151-155, 2001 (SCI-Expanded)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 545
Basım Tarihi: 2001
Doi Numarası: 10.1016/s0166-1280(01)00409-2
Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.151-155
Orta Doğu Teknik Üniversitesi Adresli: Hayır

Özet

The strong codimer Of C-60 and Si-60 that is C58Si58 is considered for AM1 type semiempirical molecular orbital treatment at the, restricted Hartree-Fock level. The results reveal that C58Si58 structure should be highly endothermic but a stable molecule. The structure is expected to have some nonlinear properties. (C) 2001 Elsevier Science B.V. All rights reserved.