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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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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.