Endohedrally Be, C, Si and Ge doped C-80 - AM1 treatment

Date

2003-05-30

Author

Türker, Burhan Lemi

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M@C-80 type C-80 structure endohedrally doped with Be, C, Si and Ge atoms were subjected to AMI (RHF) type quantum chemical studies. All the structures are expected to be stable but highly endothermic. However, Ge atom seems to be quite a potent dopant to stabilize C-80 cage. Some calculated properties of the structures are presented as well.

Subject Keywords

Physical and Theoretical Chemistry, Biochemistry, Condensed Matter Physics

URI

https://hdl.handle.net/11511/62274

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(03)00084-8

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker, “Endohedrally Be, C, Si and Ge doped C-80 - AM1 treatment,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 203–207, 2003, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62274.