A theoretical study on a fullerene derivative C54N4 and some of its protonated forms

Date

2004-07-05

Author

Türker, Burhan Lemi

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Semiempirical quantum chemical calculations at the level of AMI (restricted Hartree-Fock) have been performed on a fullerene derivative, C54N4, theoretically obtained from C-60 and its mono and diprotonated forms. All these structures are stable, but endothermic in nature. Some calculated geometrical and physicochemical properties of these have also been reported.

Subject Keywords

Physical and Theoretical Chemistry, Biochemistry, Condensed Matter Physics

URI

https://hdl.handle.net/11511/62371

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/j.theochem.2004.04.038

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker, “A theoretical study on a fullerene derivative C54N4 and some of its protonated forms,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 47–51, 2004, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62371.