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An AM1 study on C-60@C-180 system
Date
2004-04-09
Author
Türker, Burhan Lemi
Gumus, S
Metadata
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This work is licensed under a
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AM1 type (RHF) semi-empirical calculations are performed on endohedrally C-60 doped C-180 structure to examine the electronic and structural properties. The molecule is found to be stable but endothermic in nature.
Subject Keywords
Physical and Theoretical Chemistry
,
Biochemistry
,
Condensed Matter Physics
URI
https://hdl.handle.net/11511/62474
Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
DOI
https://doi.org/10.1016/j.theochem.2003.12.023
Collections
Department of Chemistry, Article