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AM 1 treatment of endohedrally hydrogen doped C-56 systems, nH(2)@C-56
Date
2004-07-26
Author
Türker, Burhan Lemi
Gumus, S
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Endohedrally hydrogen doped C-56 systems (nH(2)@C-60, obtained from C-60 structure) have been theoretically investigated at the level of AM 1 (UHF) type quantum chemical treatment. The calculations have indicated that the all structures are stable but endothermic in nature. Also some geometrical and physicochemical properties have been reported.
Subject Keywords
Physical and Theoretical Chemistry
,
Biochemistry
,
Condensed Matter Physics
URI
https://hdl.handle.net/11511/62601
Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
DOI
https://doi.org/10.1016/j.theochem.2004.04.036
Collections
Department of Chemistry, Article
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B. L. Türker and S. Gumus, “AM 1 treatment of endohedrally hydrogen doped C-56 systems, nH(2)@C-56,”
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
, pp. 21–25, 2004, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62601.