Substitutionally B, N and P doped C-80 - an AM1 study

Date

2003-10-24

Author

Türker, Burhan Lemi

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Substitutionally B, N and P doped C-80, namely BC79, NC79 and PC79 were subjected to AM I (unrestricted Hartree-Fock) type semiempirical quantum chemical treatment. The stabilities of the structures, the molecular orbital energies and some physicochemical properties were considered.

Subject Keywords

Physical and Theoretical Chemistry, Biochemistry, Condensed Matter Physics

URI

https://hdl.handle.net/11511/62284

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(03)00543-8

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker, “Substitutionally B, N and P doped C-80 - an AM1 study,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 63–67, 2003, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62284.