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AMI treatment of some C56H8 type structures obtained from C-60
Date
2004-05-14
Author
Türker, Burhan Lemi
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Certain C56H8 type isomeric structures, theoretically obtained from C-60 Molecule initially, by deleting two C-C bonds (existing between two adjacent hexagonal units so that two apertures at different sites of C-60 structure arise) and then adding hydrogens to satisfy valencies of the carbons are considered for AM1 (RHF) type semiempirical calculations. The calculations reveal that the considered structures are stable but endothermic. The locations of the apertures highly affect the molecular properties of these systems.
Subject Keywords
Physical and Theoretical Chemistry
,
Biochemistry
,
Condensed Matter Physics
URI
https://hdl.handle.net/11511/62331
Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
DOI
https://doi.org/10.1016/j.theochem.2004.01.037
Collections
Department of Chemistry, Article
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B. L. Türker, “AMI treatment of some C56H8 type structures obtained from C-60,”
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
, pp. 41–45, 2004, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62331.