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A theoretical study on the strong codimer of C-60 and Si-60, C58Si58
Date
2001-07-09
Author
Türker, Burhan Lemi
Metadata
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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.
Subject Keywords
AM1 calculations
,
C-60; Si-60
,
Strong dimer
,
C58Si58
URI
https://hdl.handle.net/11511/62342
Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
DOI
https://doi.org/10.1016/s0166-1280(01)00409-2
Collections
Department of Chemistry, Article