An AM1 study on C-60@C-180 system

Date

2004-04-09

Author

Türker, Burhan Lemi
Gumus, S

Metadata

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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