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

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Turker L.

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

• Publication Type: Article / Article
• Volume: 545
• Publication Date: 2001
• Doi Number: 10.1016/s0166-1280(01)00409-2
• Journal Name: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
• Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Page Numbers: pp.151-155
• Middle East Technical University Affiliated: No

Abstract

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.